Ethyl 6-Bromo-1-benzothiophene-2-carboxylate

Base Information

• Chemical Name: Ethyl 6-Bromo-1-benzothiophene-2-carboxylate
• CAS No.: 105191-64-8
• Molecular Formula: C11H9BrO2S
• Molecular Weight: 285.161
• Hs Code.: 2934999090
• European Community (EC) Number: 891-293-1
• DSSTox Substance ID: DTXSID20544017
• Wikidata: Q82420990
• Mol file: 105191-64-8.mol

Synonyms:Ethyl 6-Bromo-1-benzothiophene-2-carboxylate;105191-64-8;ethyl 6-bromobenzo[b]thiophene-2-carboxylate;SCHEMBL156266;Benzo[b]thiophene-2-carboxylic acid,6-bromo-,ethyl ester;DTXSID20544017;QNZMCEMVNKFVOA-UHFFFAOYSA-N;MFCD11100112;AKOS025116801;PB10874;6-bromo-2-ethoxycarbonylbenzo[b]thiophene;TS-01026;CS-0053883;Ethyl 6bromo-1-benzothiophene-2-carboxylate;Ethyl6-Bromo-1-benzothiophene-2-carboxylate;EN300-7398113;6-bromo-benzo[b]thiophene-2-carboxylic acid ethyl ester;Z1509601606

Chemical Property of Ethyl 6-Bromo-1-benzothiophene-2-carboxylate

Chemical Property:

• PSA: 54.54000
• LogP: 3.84050
• Storage Temp.: Keep in dark place,Sealed in dry,Store in freezer, under -20°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 283.95066
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

99.3% ^*data from raw suppliers

Ethyl6-bromo-1-benzothiophene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(S1)C=C(C=C2)Br

Technology Process of Ethyl 6-Bromo-1-benzothiophene-2-carboxylate

There total 8 articles about Ethyl 6-Bromo-1-benzothiophene-2-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

ethyl 2-sulfanylacetate (623-51-8) + 4-bromo-2-fluorobenzaldehyde (57848-46-1) → 6-Brombenzothiophen-2-carbonsaeure-ethylester (105191-64-8)

Guidance literature:

ethyl 2-sulfanylacetate; 4-bromo-2-fluorobenzaldehyde; With potassium carbonate; In N,N-dimethyl-formamide; at 0 - 20 ℃; Inert atmosphere;

In N,N-dimethyl-formamide; at 60 ℃; for 5.5h;

DOI:10.1016/j.bmc.2012.12.035

Reference yield: 86.0%

4-bromo-2-fluorobenzaldehyde (57848-46-1) → 6-Brombenzothiophen-2-carbonsaeure-ethylester (105191-64-8)

Guidance literature:

ethyl 2-sulfanylacetate; With sodium hydride; In dimethyl sulfoxide; for 0.166667h;

4-bromo-2-fluorobenzaldehyde; In dimethyl sulfoxide; for 0.25h;

Reference yield: 74.0%

ethanol (64-17-5) + 6-Brombenzothiophen-2-carbonylchlorid (105212-27-9) → 6-Brombenzothiophen-2-carbonsaeure-ethylester (105191-64-8)

Guidance literature:

In ethanol; for 2h; Heating;

upstream raw materials:

ethanol

6-Brombenzothiophen-2-carbonylchlorid

2,4-dibromobenzaldehyde

6-bromo-1-benzothiophene-2-carboxylic acid

Downstream raw materials:

6-bromo-1-benzothiophene-2-carboxylic acid

[3-({6-[(4-chloro-benzylcarbamoyl)-fluoro-methyl]-benzo[b]thiophene-2-carbonyl}-amino)-biphenyl-4-yl]-carbamic acid tert-butyl ester

(2-{[6-(carbamoyl-fluoro-methyl)-benzo[b]thiophene-2-carbonyl]-amino}-4-thiophen-2-yl-phenyl)-carbamic acid tert-butyl ester

ethyl 6-[2-(2-benzoylhydrazino)-1-fluoro-2-oxoethyl]-1-benzothiophene-2-carboxylate