(6-Methyl-benzofuran-3-yl)-acetic acid

Base Information

• Chemical Name: (6-Methyl-benzofuran-3-yl)-acetic acid
• CAS No.: 142917-39-3
• Molecular Formula: C₁₁H₁₀O₃
• Molecular Weight: 190.199
• Hs Code.: 2932999099
• European Community (EC) Number: 837-931-4
• ChEMBL ID: CHEMBL1490178
• Mol file: 142917-39-3.mol

Synonyms:142917-39-3;(6-Methyl-benzofuran-3-yl)-acetic acid;6-methylbenzofuran-3-acetic acid;2-(6-methyl-1-benzofuran-3-yl)acetic acid;(6-METHYL-1-BENZOFURAN-3-YL)ACETIC ACID;MLS000108865;2-(6-Methylbenzofuran-3-yl)acetic acid;MFCD01850741;SMR000104815;Enamine_000523;Opera_ID_1880;Cambridge id 5934888;Oprea1_126955;SCHEMBL1103812;CHEMBL1490178;HMS1395H17;HMS2181B05;6-methylbenzo[b]furan-3-acetic acid;AC4237;AKOS000300913;2-(6-Methylbenzofuran-3-yl)aceticacid;SY045631;CS-0307745;FT-0678672;EN300-06203;A926681;(6-Methyl-1-benzofuran-3-yl)acetic acid, AldrichCPR;Z56776913;F2117-0009

Chemical Property of (6-Methyl-benzofuran-3-yl)-acetic acid

Chemical Property:

• Vapor Pressure: 2.44E-05mmHg at 25°C
• Boiling Point: 344.8°Cat760mmHg
• Flash Point: 162.3°C
• PSA: 50.44000
• Density: 1.267g/cm³
• LogP: 2.36830
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.062994177
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

(6-Methyl-benzofuran-3-yl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C(=CO2)CC(=O)O

Technology Process of (6-Methyl-benzofuran-3-yl)-acetic acid

There total 4 articles about (6-Methyl-benzofuran-3-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: 95.0%

4-bromomethyl-7-methyl-coumarin (41321-75-9) → (6-methyl-1-benzofuran-3-yl)acetic acid (142917-39-3)

Guidance literature:

With sodium hydroxide; In water; Reflux;

DOI:10.1080/00397911.2015.1068943

Reference yield: 82.0%

(6-Methyl-benzofuran-3-yl)-acetic acid ethyl ester (82156-60-3) → (6-methyl-1-benzofuran-3-yl)acetic acid (142917-39-3)

Guidance literature:

With potassium hydroxide; In ethanol; water;

Reference yield:

6-methylbenzofuran-3(2H)-one (20895-41-4) → (6-methyl-1-benzofuran-3-yl)acetic acid (142917-39-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / xylene / 40 h / Heating

2: 82 percent / KOH / ethanol; H₂O

With potassium hydroxide; In ethanol; water; xylene;

upstream raw materials:

(6-Methyl-benzofuran-3-yl)-acetic acid ethyl ester

6-methylbenzofuran-3(2H)-one

4-bromomethyl-7-methyl-coumarin

3-methyl-phenol

Downstream raw materials:

6-Methyl-benzofuran-3-carbaldehyde

Benzyl-(1,7-dimethyl-4-nitro-benzo[4,5]furo[2,3-c]pyridin-3-yl)-amine

[2-(3,4-Dimethoxy-phenyl)-ethyl]-(1,7-dimethyl-4-nitro-benzo[4,5]furo[2,3-c]pyridin-3-yl)-amine

C₁₉H₁₆O₄