ChemicalBook--->CAS DataBase List--->107818-55-3

107818-55-3

107818-55-3 Structure

107818-55-3 Structure
IdentificationBack Directory
[Name]

3-Amino-5-bromo-thiophene-2-carboxylic acid methyl ester
[CAS]

107818-55-3
[Synonyms]

methyl 3-amino-5-bromothiophene-2-carboxylate
5-Bromo-3-aminothiophene-2-carboxylic acid methyl ester
3-Amino-5-bromo-2-thiophenecarboxylic acid methyl ester
3-Amino-5-bromo-thiophene-2-carboxylic acid methyl ester
2-Thiophenecarboxylic acid, 3-amino-5-bromo-, methyl ester
3-Amino-5-bromo-thiophene-2-carboxylic acid methyl ester ISO 9001:2015 REACH
[Molecular Formula]

C6H6BrNO2S
[MDL Number]

MFCD12031265
[MOL File]

107818-55-3.mol
[Molecular Weight]

236.09
Chemical PropertiesBack Directory
[Boiling point ]

345.5±37.0 °C(Predicted)
[density ]

1.745±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[pka]

1.00±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C6H6BrNO2S/c1-10-6(9)5-3(8)2-4(7)11-5/h2H,8H2,1H3
[InChIKey]

RZYLOBBUEWSONL-UHFFFAOYSA-N
[SMILES]

C1(C(OC)=O)SC(Br)=CC=1N
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

3-Amino-5-bromo-thiophene-2-carboxylic acid methyl ester(107818-55-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methyl 3-amino-2-thiophenecarboxylate

22288-78-4

3-Amino-5-bromo-thiophene-2-carboxylic acid methyl ester

107818-55-3

The general procedure for the synthesis of methyl 3-amino-5-bromothiophene-2-carboxylate from methyl 3-amino-2-thiophenecarboxylate is as follows: Example 1: Synthesis of N-(3-aminopropyl)-N-[1-(3-benzyl-6-bromo-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)-2-(dimethylamino)-2-oxoethyl]-4-methylbenzamide (Compound 5 in Table 1) Step 1. Synthesis of methyl 3-amino-5-bromothiophene-2-carboxylate Methyl 3-amino-2-thiophenecarboxylate (1 eq., 25 g) was dissolved in a mixed solvent of 250 ml of dichloromethane and 250 ml of methanol, phenyltrimethylammonium tribromide (3 eq., 180 g) was added followed by calcium carbonate (in appropriate amount). The reaction mixture was stirred at room temperature overnight. After completion of the reaction, the calcium carbonate was removed by filtration and the filtrate was concentrated under reduced pressure. To the concentrated filtrate was added water (750 ml) and then extracted with ethyl acetate (1 L). The ethyl acetate layer was washed sequentially with water, sodium thiosulfate solution, saturated sodium bicarbonate solution and saturated sodium chloride solution. The organic layer was dried with magnesium sulfate, filtered and the filtrate was concentrated under reduced pressure to obtain the crude product. The crude product was purified by fast chromatography to afford 21.46 g (57% yield) of methyl 3-amino-5-bromothiophene-2-carboxylate as a light brown oil, the mass spectrum showed MH+ = 238.1.

[References]

[1] Patent: KR101736387, 2017, B1. Location in patent: Paragraph 0208-0210
[2] Patent: WO2004/111058, 2004, A1. Location in patent: Page/Page column 38
[3] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 9, p. 2535 - 2539
[4] Patent: WO2005/95386, 2005, A1. Location in patent: Page/Page column 110
[5] Patent: EP2540728, 2013, A1
107818-55-3 suppliers list
Company Name: Shanghai Renshi Pharmatech Co., LTD  Gold
Telephone: 021-61150625 18521367657
Website: http://www.renshipharma.com
Company Name: Shanghai Raise Chemical Technology Co.,Ltd  Gold
Telephone: 15026594951
Website: http://www.raise-chem.com
Company Name: Shanghai Boyle Chemical Co., Ltd.  
Telephone:
Website: www.boylechem.com
Company Name: Adamas Reagent, Ltd.  
Telephone: 4006009262 13023226327
Website: http://www.tansoole.com
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 4000665055
Website: www.shao-yuan.com/
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: China Langchem Inc.  
Telephone: 0086-21-58956006
Website: www.chemicalbook.com/ShowSupplierProductsList19141/0_EN.htm
Company Name: Shanghai Sunway Pharmaceutical Technology Co., Ltd  
Telephone: 13761987713
Website: www.sunwaypharm.cn
Company Name: Wuhan ariel chemical Co., LTD.  
Telephone: 18986259541 18986259541
Website: http://www.3stc.com
Company Name: Goodee Pharma Co., Ltd.  
Telephone: 0512-62956210
Website: www.goodeepharma.com
Company Name: Wuhan TCASChem Technology Co., Ltd.  
Telephone: 027-86697669 13986148687
Website: https://www.tcaschem.com
Company Name: Shanghai Jian Chao Chemical Technology Co., Ltd.  
Telephone: 150-2103-5486 18017383231
Website:
Company Name: SuZhou ShiYa Biopharmaceuticals, Inc.  
Telephone: 86(512)5235 8471 17715136450
Website: www.shiyabiopharm.com
Company Name: Wuhan Kaymke Chemical Co., Ltd.,  
Telephone: 027-87342388 18086026008
Website: www.kmkpharm.cn
Company Name: CEG Chemical Science&Technology Co., Ltd.  
Telephone: Mobile:13665161512
Website: www.cegchemical.com
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Company Name: HangZhou YuHao Chemical Technology Co., Ltd.  
Telephone: 0571-82693216
Website: www.yuhaochemical.com
Company Name: ShangHai AmK Pharmaceutical Technology Co., Ltd.  
Telephone: 微信 18019252918 18019252918
Website: www.amkchem.com
Tags:107818-55-3 Related Product Information
706791-83-5