2-Thiopheneacetic acid, 5-benzamido-4-carboxy-3-methyl-

Base Information

• Chemical Name: 2-Thiopheneacetic acid, 5-benzamido-4-carboxy-3-methyl-
• CAS No.: 105522-85-8
• Molecular Formula: C₁₅H₁₃NO₅S
• Molecular Weight: 319.338
• DSSTox Substance ID: DTXSID00147181
• Wikidata: Q83012397
• Mol file: 105522-85-8.mol

Synonyms:2-Thiopheneacetic acid, 5-benzamido-4-carboxy-3-methyl-;BRN 5604532;2-Benzoylamino-3-carboxy-4-methyl-5-thiopheneacetic acid;105522-85-8;5-Benzamido-4-carboxy-3-methyl-2-thiopheneacetic acid;2-Thiopheneacetic acid, 5-(benzoylamino)-4-carboxy-3-methyl-;DTXSID00147181;LS-152877

Chemical Property of 2-Thiopheneacetic acid, 5-benzamido-4-carboxy-3-methyl-

Chemical Property:

• Vapor Pressure: 1.8E-09mmHg at 25°C
• Boiling Point: 465.7°Cat760mmHg
• Flash Point: 235.4°C
• Density: 1.491g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 319.05144369
• Heavy Atom Count: 22
• Complexity: 449

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=C1C(=O)O)NC(=O)C2=CC=CC=C2)CC(=O)O

Technology Process of 2-Thiopheneacetic acid, 5-benzamido-4-carboxy-3-methyl-

There total 2 articles about 2-Thiopheneacetic acid, 5-benzamido-4-carboxy-3-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:

Ethyl 2-cyano-3-methyl-2-hexene-1,6-dicarboxylate (52567-30-3) → 2-Benzoylamino-3-carboxy-4-methyl-5-thiophenacetic acid (105522-85-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 75.3 percent / sulfur, piperidine / ethanol / Heating

2: benzene / 2 h / Heating

3: aq. NaOH / methanol / 0.83 h / Heating

With piperidine; sodium hydroxide; sulfur; In methanol; ethanol; benzene;

DOI:10.1007/BF00766872

Reference yield:

Ethyl 2-amino-3-ethoxycarbonyl-4-methyl-5-thiopheneacetate → 2-Benzoylamino-3-carboxy-4-methyl-5-thiophenacetic acid (105522-85-8)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene / 2 h / Heating

2: aq. NaOH / methanol / 0.83 h / Heating

With sodium hydroxide; In methanol; benzene;

DOI:10.1007/BF00766872

upstream raw materials:

Ethyl 2-cyano-3-methyl-2-hexene-1,6-dicarboxylate