2-(Benzo[b]thiophen-2-yl)acetic acid

Base Information

• Chemical Name: 2-(Benzo[b]thiophen-2-yl)acetic acid
• CAS No.: 75894-07-4
• Molecular Formula: C10H8O2S
• Molecular Weight: 192.238
• European Community (EC) Number: 856-751-7
• DSSTox Substance ID: DTXSID50509336
• Wikidata: Q27452970
• Mol file: 75894-07-4.mol

Synonyms:2-(Benzo[b]thiophen-2-yl)acetic acid;75894-07-4;2-(1-benzothiophen-2-yl)acetic acid;1-Benzothiophen-2-Ylacetic Acid;1-benzothien-2-ylacetic acid;Benzo[b]thiophene-2-acetic acid;2FX;2-(Benzo[b]thiophen-2-yl)aceticacid;2-benzothienyl acetic acid;SCHEMBL631264;2-benzo[b]thienyl acetic acid;DTXSID50509336;SAAWNQLNUJBOLW-UHFFFAOYSA-N;benzo[b]thiophen-2-yl-acetic acid;(1-Benzothiophen-2-yl)acetic acid;MFCD09927470;AKOS006312877;DS-14817;SY019670;FT-0716566;C76425;EN300-227281;Q27452970;Z1198265898

Chemical Property of 2-(Benzo[b]thiophen-2-yl)acetic acid

Chemical Property:

• Melting Point: 109 °C
• Boiling Point: 378.7±17.0 °C(Predicted)
• PKA: 3.58±0.30(Predicted)
• PSA: 65.54000
• Density: 1.368±0.06 g/cm3(Predicted)
• LogP: 2.52840
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 192.02450067
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

2-(Benzo[b]thiophen-2-yl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(S2)CC(=O)O

Technology Process of 2-(Benzo[b]thiophen-2-yl)acetic acid

There total 1 articles about 2-(Benzo[b]thiophen-2-yl)acetic 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:

benzo[b]thiophen-2-ylmethyl-magnesium chloride (569650-91-5) + methylammonium carbonate (15719-64-9,15719-76-3,97762-63-5) → 2-Methylbenzothiophene (1195-14-8) + benzothiophene-2-methanol (17890-56-1) + 2-methylbenzothiophene-3-carboxylic acid (17375-82-5) + 2-benzothienylacetic acid (75894-07-4)

Guidance literature:

DOI:10.1021/ja01123a054

Reference yield:

2-benzothienylacetic acid (75894-07-4) → 4-Phenylbutyric acid (1821-12-1)

Guidance literature:

DOI:10.1021/ja01191a066

Reference yield:

2-benzothienylacetic acid (75894-07-4) → 2-Methylbenzothiophene (1195-14-8)

Guidance literature:

Multi-step reaction with 3 steps

2: 42 percent / LiAlH₄ / tetrahydrofuran; diethyl ether / 5 h / Heating

3: benzene / 15 h / Irradiation

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; benzene;

DOI:10.1039/P19880002579

upstream raw materials:

benzo[b]thiophen-2-ylmethyl-magnesium chloride

methylammonium carbonate

Downstream raw materials:

4-Phenylbutyric acid

2-Methylbenzothiophene

2-(2-anilinoethyl)benzothiophene

1-(2-(benzo[b]thiophen-2-yl)acetyl)-N-(4-chlorobenzyl)-N,2-dimethylazetidine-2-carboxamide