Methyl 4-(4-bromophenyl)thiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 4-(4-bromophenyl)thiophene-2-carboxylate
• CAS No.: 26137-07-5
• Molecular Formula: C12H9 Br O2 S
• Molecular Weight: 297.172
• Hs Code.: 2934999090
• European Community (EC) Number: 672-975-6
• DSSTox Substance ID: DTXSID30374928
• Nikkaji Number: J2.139.082H
• Wikidata: Q82163498
• Mol file: 26137-07-5.mol

Synonyms:methyl 4-(4-bromophenyl)thiophene-2-carboxylate;26137-07-5;2-thiophenecarboxylic acid, 4-(4-bromophenyl)-, methyl ester;SCHEMBL6368361;DTXSID30374928;DNVMJKVPBOOKHZ-UHFFFAOYSA-N;4-(4-bromo-phenyl)-thiophene-2-carboxylic acid methyl ester;BBA13707;AKOS015904408;CS-0450485;A818206;J-016273;METHYL4-(4-BROMOPHENYL)THIOPHENE-2-CARBOXYLATE;2-Thiophenecarboxylicacid,4-(4-bromophenyl)-,methyl ester;4-(4-bromophenyl)-2-thiophenecarboxylic acid methyl ester;4-(4-Bromophenyl)thiophene-2-carboxylic acid methyl ester

Chemical Property of Methyl 4-(4-bromophenyl)thiophene-2-carboxylate

Chemical Property:

• PSA: 54.54000
• LogP: 3.96420
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 295.95066
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-(4-bromophenyl)thiophene-2-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=CS1)C2=CC=C(C=C2)Br

Technology Process of Methyl 4-(4-bromophenyl)thiophene-2-carboxylate

There total 4 articles about Methyl 4-(4-bromophenyl)thiophene-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: 40.0%

methyl 4-(4-aminophenyl)thiophene-2-carboxylate (666721-42-2) → 4-(4-bromo-phenyl)-thiophene-2-carboxylic acid methyl ester (26137-07-5)

Guidance literature:

methyl 4-(4-aminophenyl)thiophene-2-carboxylate; With hydrogen bromide; sodium nitrite; In water; at 0 ℃; for 1h;

With hydrogen bromide; copper(I) bromide; In water; at 0 ℃; for 1h;

Reference yield:

thiophene-2-carboxylic acid methyl ester (5380-42-7) + 1,4-bromoiodobenzene (589-87-7) → 4-(4-bromo-phenyl)-thiophene-2-carboxylic acid methyl ester (26137-07-5)

Guidance literature:

With 2,3-diethynylquinoxaline; 2-carbomethoxynorbornene; N-(2-hydroxy-5-(trifluoromethyl)pyridin-3-yl)acetamide; silver(I) acetate; palladium diacetate; at 100 ℃; for 18h; regioselective reaction; Sealed tube;

DOI:10.1002/ijch.201900134

Reference yield:

2-(4-Bromophenyl)-3-(dimethylamino)allylidene(dimethyl)ammonium perchlorate (23801-14-1) + Methyl thioglycolate (2365-48-2) → 4-(4-bromo-phenyl)-thiophene-2-carboxylic acid methyl ester (26137-07-5)

Guidance literature:

In N,N-dimethyl-formamide; for 18h; Heating;

DOI:10.1016/j.tetlet.2004.12.113

upstream raw materials:

2-(4-Bromophenyl)-3-(dimethylamino)allylidene(dimethyl)ammonium perchlorate

Methyl thioglycolate

methyl 4-(4-aminophenyl)thiophene-2-carboxylate

thiophene-2-carboxylic acid methyl ester

Downstream raw materials:

(S)-3-Phenyl-3-{[4-(4-pyridin-4-yl-phenyl)-thiophene-2-carbonyl]-amino}-propionic acid

methyl 4-[4-(pyridin-4-yl)phenyl]thiophen-2-carboxylate