2-(Benzofuran-2-YL)acetic acid

Base Information

• Chemical Name: 2-(Benzofuran-2-YL)acetic acid
• CAS No.: 62119-70-4
• Molecular Formula: C10H8O3
• Molecular Weight: 176.172
• Hs Code.: 2932999099
• European Community (EC) Number: 824-907-3
• DSSTox Substance ID: DTXSID40455358
• Wikidata: Q72445479
• Mol file: 62119-70-4.mol

Synonyms:62119-70-4;2-(BENZOFURAN-2-YL)ACETIC ACID;2-(1-benzofuran-2-yl)acetic acid;1-benzofuran-2-ylacetic acid;Benzofuran-2-Acetic Acid;MFCD00052742;2-Benzofuranaceticacid;BFAA;3-benzofuran acetic acid;benzofuran-2-ylacetic acid;Benzofuran-2-yl-acetic acid;Oprea1_342401;SCHEMBL1650806;DTXSID40455358;ZYIXXVCNAOYWQA-UHFFFAOYSA-N;2-benzofuranacetic acid, AldrichCPR;AKOS002680431;FS-3061;SY045645;AM20060855;CS-0138270;FT-0761483;EN300-27060;A868552;Z235569554

Chemical Property of 2-(Benzofuran-2-YL)acetic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 97-98oC
• Refractive Index: 1.5434
• Boiling Point: 331.086 °C at 760 mmHg
• PKA: 3.22±0.30(Predicted)
• Flash Point: 154.036 °C
• PSA: 50.44000
• Density: 1.317 g/cm³
• LogP: 2.05990
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 176.047344113
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-BenzofuranaceticAcid ^*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(O2)CC(=O)O

Technology Process of 2-(Benzofuran-2-YL)acetic acid

There total 1 articles about 2-(Benzofuran-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: 26.0%

((Z)-2-Benzofuran-2-yl-1-dimethylamino-vinyl)-phosphonic acid diethyl ester (82670-78-8) → benzofuran-2-yl-acetic acid (62119-70-4) + 2-methylbenzofuran (4265-25-2)

Guidance literature:

With hydrogenchloride; Heating;

Reference yield: 69.0%

benzofuran-2-yl-acetic acid (62119-70-4) + 4-Chlorophenylboronic acid (1679-18-1) → 3a-(4-chlorophenyl)-3a,8b-dihydrofuro[3,2-b]benzofuran-2(3H)-one

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; palladium diacetate; trifluoroacetic acid; In diethyl ether; at 20 ℃; for 6h;

DOI:10.1002/ejoc.201600194

Reference yield: 68.0%

benzofuran-2-yl-acetic acid (62119-70-4) + 4-fluoroboronic acid (1765-93-1) → 3a-(4-fluorophenyl)-3a,8b-dihydrofuro[3,2-b]benzofuran-2(3H)-one

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; palladium diacetate; trifluoroacetic acid; In diethyl ether; at 20 ℃; for 6h;

DOI:10.1002/ejoc.201600194

upstream raw materials:

((Z)-2-Benzofuran-2-yl-1-dimethylamino-vinyl)-phosphonic acid diethyl ester

Downstream raw materials:

2-methylbenzofuran

benzofuran-2-yl-acetic acid methyl ester

1-[2-(2-Benzofuryl)ethyl]-3-(3-methoxyphenyl)piperidine hydrochloride

Refernces