Month: December 2020

90030-48-1, name is Sodium 3-methoxy-3-oxopropane-1-sulfinate, belongs to esters-buliding-blocks compound, is considered to be a conventional heterocyclic compound, which is widely used in drug synthesis. The chemical synthesis route is as follows. name: Sodium 3-methoxy-3-oxopropane-1-sulfinate

ADMSO (0.5 mL) solution of Example 318 (20 mg, 39 tmol), sodium 3-methoxy-3-oxopropane-1-sulfinate (20 mg, 116 tmol) and copper(I) iodide (22 mg, 116.imol) was heated in a sealed safety vial at 120 C for 4.5 h. The resulting mixture wasdiluted with MeOH (1 mL) and filtered. The filtrate was purified via preparative LC/MS(Condition A: Gradient: 20-60% B over 20 minutes, then a 5-minute hold at 100% B) to give (R)-methyl 3 -((3 -(1 -((3 -chloro-6-(2-(2-hydroxypropan-2-yl)pyrimidin-5 -yl)quinolin4-yl)amino)ethyl)-4-fluorophenyl)sulfonyl)propanoate (3 mg, 13% yield). LC/MS (M+H): 587; LC retention time: 1.87 mm (Method A). ?H NMR (500 MFIz, DMSO-d6) oe 9.26 (s, 2H), 8.75 (s, 1H), 8.49 (s, 1H), 8.18-8.11 (m, 2H), 8.00 (d,J=8.8 Hz, 1H), 7.80(br. s., 1H), 7.44 (t, J=9.3 Hz, 1H), 6.93 (d, J=8.5 Hz, 1H), 5.86-5.78 (m, 1H), 2.42-2.32 (m, 4H), 1.71 (d, J=6.7 Hz, 3H), 1.56 (s, 6H).

The synthetic route of 90030-48-1 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; BRISTOL-MYERS SQUIBB COMPANY; XIAO, Hai-Yun; DHAR, T. G. Murali; LI, Ning; DUAN, Jingwu; JIANG, Bin; LU, Zhonghui; NGU, Khehyong; PITTS, William J.; TINO, Joseph; (402 pag.)WO2017/23905; (2017); A1;,
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Electric Literature of 82702-31-6, A common heterocyclic compound, 82702-31-6, name is Methyl 3-bromo-4-fluorobenzoate, molecular formula is C8H6BrFO2, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

A mixture of methyl 3 -bromo-4-fluorobenzoate (0.280 g, 1.2 mmol), Example 28b (0.211 g, 1.200 mmol), and cesium carbonate (0.391 g, 1.200 mmol) in dimethyl sulfoxide (5 mL) was heated at 110 C overnight. After cooling, the reaction mixture was partitioned between water and ethyl acetate. The aqueous layer was extracted with additional ethylacetate three times. The combined organic layers were washed with brine, separated, dried over anhydrous magnesium sulfate, filtered, and concentrated. The residue was purified by flash chromatography on silica eluting with 20% ethyl acetate in heptanes to provide the title compound (0.08 g, 0.206 mmol, 17.1 % yield).

The synthetic route of 82702-31-6 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; ABBVIE INC.; ABBVIE PHARMACEUTICAL TRADING (SHANGHAI) CO., LTD.; FIDANZE, Steven D.; HASVOLD, Lisa A.; LIU, Dachun; MCDANIEL, Keith F.; PRATT, John; SCHRIMPF, Michael; SHEPPARD, George S.; WANG, Le; LI, Bing; (191 pag.)WO2017/177955; (2017); A1;,
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Reference of 924-99-2, Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 924-99-2, name is Ethyl 3-(dimethylamino)acrylate, This compound has unique chemical properties. The synthetic route is as follows.

General procedure: All microwave reactions were carried out in a capped (10 mL) microwave-vessel (Borosilicate glass vial sealed) that was placed in a microwave cavity. The pressure was set at 17 bar (average of an effective pressure = 4 bar) with power 75 W. DIEA (3.4 g, 3.4 mmol) was added to a solution of either 2,5-difluoro-4-(pyrrolidin-1-yl) benzoylchloride 12 (0.83 g, 3.4 mmol) or 2,5-difluoro-4-(pyrrolidin-1-yl)benzothioyl chloride 13 (0.88 g, 3.4 mmol) and ethyl-3-(diethylamino)acrylate 14 (0.45 g, 3.1 mmol) in acetonitrile (5 mL). The mixture reaction was held at 100 C for 20 min. After the reaction vessel was cooled to room temperature, the crude product was diluted with water (10 mL) and extracted with ethyl acetate(3 ¡Á 10 mL). The organic layers were combined, dried over Na2SO4, filtered, evaporated and purified by a flash column chromatography (eluent n-hexane: acetone, 3:1)to give the titled compounds. Ethyl-2-(2,5-difluoro-4-(pyrrolidin-1-yl)benzoyl)-3-(dimethylamino) acrylate (15)Yellow oil (Rf = 0.3), Yield 85%. IR (KBr) numax in cm-1:2993 (C-H, Ar), 2953 (C-H), 1760 (C=O), 1692 (C=O),1654 (C=C, Ar), 1592 (C-N). 1H NMR (400 MHz, DMSOd6):delta = 7.77 (1H, s, CH), 7.32 (1H, d, J = 5.0 Hz, CH-Ar),6.88 (1H, d, J = 5.2 Hz, CH-Ar), 4.2 (2H, q, J = 7.1 Hz,CH2), 3.47-3.42 (4H, m, 2CH2), 3.1 (6H, s, 2CH3), 2.01-1.97 (4H, m, 2CH2), 1.32 (3H, t, J = 4.2 Hz, CH3).

The chemical industry reduces the impact on the environment during synthesis Ethyl 3-(dimethylamino)acrylate. I believe this compound will play a more active role in future production and life.

Reference:
Article; Almashal, Faeza A.; Alshawi, Jasim M.; Dhumad, Adil M.; Jassem, Ahmed M.; Medicinal Chemistry Research; (2020);,
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Related Products of 65868-63-5, Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 65868-63-5, name is tert-Butyl 6-bromohexanoate, This compound has unique chemical properties. The synthetic route is as follows.

To a stirred solution of tert- butyl 6-bromohexanoate (1 .0 g, 3.98 mmol) in THF (10 mL) was added dimethylamine (2 M in THF) (7.96 mL, 15.93 mmol). The reaction mixture was stirred at room temperature for 16 h. The resulting mixture was concentrated under reduced pressure and the residue was purified by silica gel column chromatography, eluting with a gradient 1 % – 15% MeOH in DCM. The fractions containing the desired product were combined and concentrated to afford Z-2. LC/MS: (M+H)+ = 216.2. 1H NMR (300 MHz, CDCIs): d 2.35-2.17 (m, J = 8.5, 6.5 Hz, 10H), 1.67-1.47 (m, 4H), 1.45 (s, 9H), 1.42 -1.23 (m, 2H).

The chemical industry reduces the impact on the environment during synthesis tert-Butyl 6-bromohexanoate. I believe this compound will play a more active role in future production and life.

Reference:
Patent; MERCK SHARP & DOHME CORP.; WOOD, Harold, B.; JOSIEN, Hubert, B.; TUCKER, Thomas, Joseph; KEREKES, Angela, Dawn; TONG, Ling; WALJI, Abbas, M.; NAIR, Anikumar, G.; DING, Fa-Xiang; BIANCHI, Elisabetta; BRANCA, Danila; WU, Chengwei; XIONG, Yusheng; HA, Sookhee, Nicole; LIU, Jian; BOGA, Sobhana, Babu; (183 pag.)WO2019/246349; (2019); A1;,
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In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. 4519-46-4, name is Methyl 2-bromoacrylate belongs to esters-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below. SDS of cas: 4519-46-4

To a solution of methyl 2-bromo-2-propenoate (452 mg, 2.74 mmol) (for a synthesis see Rachon, J.; Goedken, V.; Walborsky, H. J. Org. Chem. (1989), 54(5), 1006) in degassed tetrahydrofuran (10 ml) under an argon atmosphere was added [2- (methyloxy)-8-quinolinyl]boronic acid (506 mg, 2.49 mmol), bis(tri-t- butylphosphine)palladium (0) (25 mg, 0.05 mmol), bis(dibenzylideneacetone)palladium(0) (23 mg, 0.025 mmol) and potassium fluoride (477 mg, 8.217 mmol). The reaction was heated at 7O0C for 24 hours and then treated with water and dichloromethane. The aqueous fraction was re-extracted with dichloromethane. The combined organic fractions were then dried (MgSO4) and the solvent removed under reduced pressure. The residue was subjected to chromatography on silica gel using a ethyl acetate-hexane gradient. This provided the desired compound as a yellow solid (381 mg, 63%).MS (ES+) m/z 244 (MH+, 100%), 212 (80%).

The synthetic route of 4519-46-4 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; GLAXO GROUP LIMITED; WO2008/128962; (2008); A1;,
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Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 89-71-4, name is Methyl 2-methylbenzoate, This compound has unique chemical properties. The synthetic route is as follows., Formula: C9H10O2

To a solution of methyl 2-methylbenzoate (5g, 0. 033mol) in carbon tetrachloride (85ml) was added n-bromosuccinimide (5.93g, 0. 033mol) and benzoyl peroxide (0.22g, 0. 9mol). The reaction was refluxed for 4 hr. The reaction was cooled to room temperature. The white precipitate was filtered and the solvent removed. The oil was dissolved in ET2O and cooled to-78C The product precipitated and collected yielding v (5. 86G, 77%).

According to the analysis of related databases, 89-71-4, the application of this compound in the production field has become more and more popular.

Reference:
Patent; CHROMA THERAPEUTICS LIMITED; WO2004/101506; (2004); A1;,
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Related Products of 23680-40-2, In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. 23680-40-2, name is Methyl 3-bromopropiolate belongs to esters-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

General procedure: Methyl 3-bromopropiolate 2 (0.5 mmol), furan 1 (0.6 mmol) and distilled toluene (1.5 mL) were added to atwo-necked flask, and the mixture was stirred at reflux for 24 h under nitrogen atmosphere. After completion ofthe initial DielsAlder reaction, silica gel (150 mg) was added under flow of nitrogen and the mixture wasstirred at reflux for 2 h. After removal of the solvent and filtration, a product 4 was purified by silica gelcolumn chromatography or PTLC using a mixture of ethyl acetate and n-hexane as an eluent.

The synthetic route of Methyl 3-bromopropiolate has been constantly updated, and we look forward to future research findings.

Reference:
Article; Shinohara, Hiroyuki; Sonoda, Motohiro; Hayagane, Naoya; Kita, Shota; Tanimori, Shinji; Ogawa, Akiya; Tetrahedron Letters; vol. 55; 38; (2014); p. 5302 – 5305;,
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Synthetic Route of 29263-94-3,Some common heterocyclic compound, 29263-94-3, name is Diethyl 2-bromo-2-methylmalonate, molecular formula is C8H13BrO4, traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

General procedure: To a 7 mL vial equipped with magnetic stir bar was added bromomalonate (1.0 equiv,0.40 mmol), 2,6-lutidine (1.0 equiv, 0.40 mmol), tris[2-phenylpyridinato-C2,N]iridium(III) (1 mol %, 4.0 mumol), and heterocycle (5.0 equiv, 2.0 mmol). Dryacetonitrile or DMA (0.5 mL, 0.8 M) was then added and the reaction was sparged withN2 for 15 min. The reaction was set to stir under nitrogen at room temperature surroundedby a string of 1W or two strings of 4W blue LEDs for 24 h. The reaction mixture wasthen diluted with ethyl acetate and extracted with water. The aqueous layer was extractedwith ethyl acetate (2 x 10 mL). The combined organic layers were washed with brine,dried over Na2SO4, and concentrated in vacuo. The residue was purified bychromatography on silica gel, using the solvent system indicated.

The synthetic route of 29263-94-3 has been constantly updated, and we look forward to future research findings.

Reference:
Article; Swift, Elizabeth C.; Williams, Theresa M.; Stephenson, Corey R. J.; Synlett; vol. 27; 5; (2016); p. 754 – 758;,
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Synthetic Route of 17994-94-4, These common heterocyclic compound, 17994-94-4, name is Methyl 7-aminoheptanoate hydrochloride, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

7-(4-Butyl-benzylamino)-heptanoic acid methyl ester. A solution of 7-amino-heptanoic acid methyl ester hydrochloride, prepared of Preparation 1, (1.12 g, 5.9 mmol), 4-butyl-benzaldehyde (0.915 g, 5.65 mmol), and triethylamine (0.83 mL, 5.98 mmol) in 20 mL MeOH was stirred at room temperature for 3 hours. After cooling to 0 C., NaBH4 (0.342 g, 9.04 mmol) was added and the reaction was stirred for 15 minutes at room temperature. The mixture was quenched with 1:1 NaHCO3:H2O and the MeOH was removed in vacuo. The resulting residue was diluted with CH2Cl2 and the organic solution was washed with water and brine, dried over MgSO4, filtered, and concentrated in vacuo to afford the title compound of Step A (1.4 g). 1H NMR (400 MHz, CDCl3) delta 7.08-7.38 (m, 4H), 3.62 (s, 2H), 3.29 (s, 3H), 2.52-2.66 (m, 4H), 2.25 (t, 2H), 1.53-1.63 (m, 6H), 1.25-1.40 (m, 6H), 0.85 (t, 3H); MS 306 (M+1).

Statistics shows that Methyl 7-aminoheptanoate hydrochloride is playing an increasingly important role. we look forward to future research findings about 17994-94-4.

Reference:
Patent; Pfizer Inc.; US2005/203086; (2005); A1;,
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Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 40876-98-0, name is Sodium 1,4-diethoxy-1,4-dioxobut-2-en-2-olate, This compound has unique chemical properties. The synthetic route is as follows., Application In Synthesis of Sodium 1,4-diethoxy-1,4-dioxobut-2-en-2-olate

To a stirred solution of (E)-5-((4-chlorobenzylidene)amino)-1,3-dimethylpyridin-2(1H)-one (Step 73.1) (4 g, 15.34 mmol) in AcOH (40 mL) was added diethyl oxaloacetate sodium salt (6.45 g,30.7 mmol) and the resulting mixture was heated up and stirred at 110 00 for 1 hr. The reactionwas concentrated under reduced pressure, diluted with CH2CI2 and water and both phases separated. The aqueous layer was extracted twice with CH2CI2, combined organic layers were washed with brine, dried over Na2504, filtered and concentrated under reduced pressure. The crude product was triturated in Et20 to afford the title product (4.42 g, 8.34 mmol, 54% yield) as beige solid. tR: 0.86 mm (LC-MS 2); ESl-MS: 403 [M+H], ESl-MS: 401 [M-H] (LC-MS 2).

According to the analysis of related databases, 40876-98-0, the application of this compound in the production field has become more and more popular.

Reference:
Patent; NOVARTIS AG; BLANK, Jutta; BORDAS, Vincent; COTESTA, Simona; GUAGNANO, Vito; RUEEGER, Heinrich; VAUPEL, Andrea; WO2014/191896; (2014); A1;,
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