2-Thiophenecarboxylic acid, 5-[[(4-chlorobenzoyl)amino]methyl]-

Base Information

Chemical Name:2-Thiophenecarboxylic acid, 5-[[(4-chlorobenzoyl)amino]methyl]-
CAS No.:830331-52-7
Molecular Formula:C13H10ClNO3S
Molecular Weight:295.746
Hs Code.:
DSSTox Substance ID:DTXSID10464518
Wikidata:Q82289868

Synonyms:830331-52-7;2-Thiophenecarboxylic acid, 5-[[(4-chlorobenzoyl)amino]methyl]-;DTXSID10464518

Suppliers and Price of 2-Thiophenecarboxylic acid, 5-[[(4-chlorobenzoyl)amino]methyl]-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 2-Thiophenecarboxylic acid, 5-[[(4-chlorobenzoyl)amino]methyl]-

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:295.0069920
Heavy Atom Count:19
Complexity:345

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)NCC2=CC=C(S2)C(=O)O)Cl

Technology Process of 2-Thiophenecarboxylic acid, 5-[[(4-chlorobenzoyl)amino]methyl]-

There total 6 articles about 2-Thiophenecarboxylic acid, 5-[[(4-chlorobenzoyl)amino]methyl]- 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:

: 830331-51-6
5-[(4-chloro-benzoylamino)-methyl]-thiophene-2-carboxylic acid methyl ester

: 830331-52-7
5-[(4-chloro-benzoylamino)-methyl]-thiophene-2-carboxylic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; at 60 ℃; for 5h;
DOI:10.1021/jm031112e

Reference yield:

: 1918-79-2
2-methylthiophene-5-carboxylic acid

: 830331-52-7
5-[(4-chloro-benzoylamino)-methyl]-thiophene-2-carboxylic acid

Guidance literature:: Multi-step reaction with 6 steps

1: H₂SO₄ / 6 h / Heating

2: NBS; benzoyl peroxide / CCl₄ / 20 h / Heating

3: NaN₃ / dimethylformamide / 3 h / 70 °C

4: 2 g / H₂; aq. HCl / Pd/C / ethanol / 20 h / 1500.12 Torr

5: 90 percent / DIEA / CH₂Cl₂ / 2 h / 20 °C

6: aq. LiOH / tetrahydrofuran / 5 h / 60 °C

With hydrogenchloride; lithium hydroxide; N-Bromosuccinimide; sodium azide; sulfuric acid; hydrogen; N-ethyl-N,N-diisopropylamine; dibenzoyl peroxide; palladium on activated charcoal; In tetrahydrofuran; tetrachloromethane; ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm031112e

Reference yield:

: 19432-69-0
methyl 5-methylthiophene-2-carboxylate

: 830331-52-7
5-[(4-chloro-benzoylamino)-methyl]-thiophene-2-carboxylic acid

Guidance literature:: Multi-step reaction with 5 steps

1: NBS; benzoyl peroxide / CCl₄ / 20 h / Heating

2: NaN₃ / dimethylformamide / 3 h / 70 °C

3: 2 g / H₂; aq. HCl / Pd/C / ethanol / 20 h / 1500.12 Torr

4: 90 percent / DIEA / CH₂Cl₂ / 2 h / 20 °C

5: aq. LiOH / tetrahydrofuran / 5 h / 60 °C

With hydrogenchloride; lithium hydroxide; N-Bromosuccinimide; sodium azide; hydrogen; N-ethyl-N,N-diisopropylamine; dibenzoyl peroxide; palladium on activated charcoal; In tetrahydrofuran; tetrachloromethane; ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm031112e