4-(2-(Methoxycarbonyl)thiophen-3-YL)benzoic acid

Base Information

• Chemical Name: 4-(2-(Methoxycarbonyl)thiophen-3-YL)benzoic acid
• CAS No.: 406232-85-7
• Molecular Formula: C₁₁H₇ClO₂S
• Molecular Weight: 238.694
• DSSTox Substance ID: DTXSID40699093
• Wikidata: Q82629820
• Mol file: 406232-85-7.mol

Synonyms:406232-85-7;4-(2-(METHOXYCARBONYL)THIOPHEN-3-YL)BENZOIC ACID;4-[2-(Methoxycarbonyl)thiophen-3-yl]benzoic acid;DTXSID40699093

Chemical Property of 4-(2-(Methoxycarbonyl)thiophen-3-YL)benzoic acid

Chemical Property:

• PSA: 91.84000
• LogP: 2.89990
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 262.02997997
• Heavy Atom Count: 18
• Complexity: 323

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(2-(Methoxycarbonyl)thiophen-3-YL)benzoic acid

There total 13 articles about 4-(2-(Methoxycarbonyl)thiophen-3-YL)benzoic acid 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:

1-bromo-4-ethylbenzene (1585-07-5) → 4-(2-chloro-thien-3-yl)-benzoic acid (406232-85-7) + 4-(4-ethylphenyl)benzoic acid (5731-13-5)

Guidance literature:

Reference yield:

p-bromo-n-propylbenzene (588-93-2) → 4-(2-chloro-thien-3-yl)-benzoic acid (406232-85-7) + 4-(4-n-propylphenyl)benzoic acid (88038-94-2)

Guidance literature:

Reference yield:

5-bromo-2-chlorothiophene (2873-18-9) + 4-carboxyphenylboronic acid (14047-29-1) → 4-(2-chloro-thien-3-yl)-benzoic acid (406232-85-7)

Guidance literature:

With sodium carbonate; Pd(PPh₃)4; In 1,2-dimethoxyethane; water;

upstream raw materials:

5-bromo-2-chlorothiophene

4-carboxyphenylboronic acid

para-bromoacetophenone

p-bromo-n-propylbenzene