Benzofuran-7-carboxylic acid

Base Information

• Chemical Name: Benzofuran-7-carboxylic acid
• CAS No.: 90484-22-3
• Molecular Formula: C9H6O3
• Molecular Weight: 162.14214
• Hs Code.: 2932999099
• European Community (EC) Number: 815-041-7
• DSSTox Substance ID: DTXSID80536130
• Wikidata: Q27457357
• Mol file: 90484-22-3.mol

Synonyms:benzofuran-7-carboxylic acid;90484-22-3;1-Benzofuran-7-Carboxylic Acid;MFCD10000617;7-BENZOFURANCARBOXYLIC ACID;7-Benzofuranylcarboxylic acid;4ahs;7-Benzofurancarboxylicacid;SCHEMBL3247729;DTXSID80536130;QMHILIQFOBNARN-UHFFFAOYSA-N;AMY16222;AKOS006305234;DS-10943;SY009669;CS-0043878;EN300-203154;F14470;J-519750;Q27457357;N-BOC-(+/-)-2-AMINO-3-HYDROXY-3-METHYLBUTANOICACID;AKH

Chemical Property of Benzofuran-7-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.649
• Boiling Point: 325.559 °C at 760 mmHg
• PKA: 2.71±0.10(Predicted)
• Flash Point: 150.693 °C
• PSA: 50.44000
• Density: 1.364 g/cm³
• LogP: 2.13100
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.031694049
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

98%min ^*data from raw suppliers

Benzofuran-7-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)C(=O)O)OC=C2
• Uses: BENZOFURAN-7-CARBOXYLIC ACID is a useful research chemical.

Technology Process of Benzofuran-7-carboxylic acid

There total 14 articles about Benzofuran-7-carboxylic 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: 91.0%

methyl benzofuran-7-carboxylate (99517-45-0) → 7-benzofuranylcarboxylic acid (90484-22-3)

Guidance literature:

With potassium hydroxide; In ethanol; for 2h; Heating;

DOI:10.1021/jm00016a013

Reference yield: 77.0%

benzofuran-7-carboxaldehyde (95333-14-5) → 7-benzofuranylcarboxylic acid (90484-22-3)

Guidance literature:

With silver(l) oxide; In water; icebath;

DOI:10.1039/P29840001479

Reference yield: 70.0%

benzofuran-7-carbonitrile (52951-09-4) → 7-benzofuranylcarboxylic acid (90484-22-3)

Guidance literature:

With sodium hydroxide; In methanol; water; at 80 ℃;

upstream raw materials:

methyl benzofuran-7-carboxylate

benzofuran-7-carboxaldehyde

methyl 2-allyloxybenzoate

3-Formylmethyl-salicylsaeure-methylester

Downstream raw materials:

N-<4-(1,1-Dimethylethyl)phenylmethyl>-N-methyl-7-benzofurancarboxamid

3-formyl-2-hydroxy-N-p-tolylbenzamide

N-(2-anisoyl)-N'-(3-formyl-2-hydroxybenzoyl)-1,2-phenylenediamine

N-{2-[(2-methoxybenzoyl)amino]phenyl}-1-benzofuran-7-carboxamide

Refernces

• 1、 -. "3-thienyl and 3-furanyl pyrrolidine modulators of chemokine receptor activity". . . Retrieved 2008/06/13.
• 2、 Stanetty, Peter,Puerstinger, Gerhard. "2,3-Dichlor-5,6-dicyano-1,4-benzochinon (DDQ) als Dehydrierungsmittel zur Synthese von Benzofurancarbonsaeuren". . p. 581 - 594. Retrieved 2007/10/02.