2-Methyl-2,3-dihydrobenzofuran-7-carboxylic acid

Base Information

• Chemical Name: 2-Methyl-2,3-dihydrobenzofuran-7-carboxylic acid
• CAS No.: 31457-03-1
• Molecular Formula: C10H10 O3
• Molecular Weight: 178.1846
• European Community (EC) Number: 842-743-0
• NSC Number: 99135
• Nikkaji Number: J2.103.539D
• Mol file: 31457-03-1.mol

Synonyms:31457-03-1;2-methyl-2,3-dihydrobenzofuran-7-carboxylic acid;2-methyl-2,3-dihydro-1-benzofuran-7-carboxylic acid;2,3-Dihydro-2-methyl-7-benzofurancarboxylic acid;BRN 0163414;NSC99135;3-Methyl-1,3-dihydroisobenzofuran-1-carboxylic acid;7-Benzofurancarboxylic acid, 2,3-dihydro-2-methyl-;NCIOpen2_002041;5-18-06-00391 (Beilstein Handbook Reference);SCHEMBL4829723;HWCCVMGTQFWJSS-UHFFFAOYSA-N;MFCD01659840;NSC 99135;NSC-99135;AKOS006372686;CS-0217711;EN300-83045;2-methyl-2,3-dihydrobenzofuran-7-carboxylicacid;Z1198723557;InChI=1/C10H10O3/c1-6-5-7-3-2-4-8(10(11)12)9(7)13-6/h2-4,6H,5H2,1H3,(H,11,12

Chemical Property of 2-Methyl-2,3-dihydrobenzofuran-7-carboxylic acid

Chemical Property:

• Vapor Pressure: 7.92E-05mmHg at 25°C
• Boiling Point: 327.9°Cat760mmHg
• Flash Point: 133.7°C
• Density: 1.254g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=C(O1)C(=CC=C2)C(=O)O

Technology Process of 2-Methyl-2,3-dihydrobenzofuran-7-carboxylic acid

There total 10 articles about 2-Methyl-2,3-dihydrobenzofuran-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: 88.0%

→ 2-methyl-2,3-dihydrobenzo[b]furan-7-carboxylic acid (31457-03-1)

Guidance literature:

Reference yield: 85.0%

2,3-dihydro-2-methyl-7-benzofurancarbonsaeuremethylester (41176-57-2) → 2-methyl-2,3-dihydrobenzo[b]furan-7-carboxylic acid (31457-03-1)

Guidance literature:

2,3-dihydro-2-methyl-7-benzofurancarbonsaeuremethylester; With sodium hydroxide; In methanol; for 2h; Reflux;

With hydrogenchloride; water; at 0 ℃; pH=1;

DOI:10.1021/jm5002502

Reference yield: 67.0%

2-methyl-2,3-dihydro-1-benzofuran (1746-11-8) + carbon dioxide (124-38-9,18923-20-1) → 2-methyl-2,3-dihydrobenzo[b]furan-7-carboxylic acid (31457-03-1)

Guidance literature:

2-methyl-2,3-dihydro-1-benzofuran; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In hexane; at 20 ℃; for 1h;

carbon dioxide; at -78 ℃;

DOI:10.3987/com-01-9218

upstream raw materials:

methyl 3-allyl-salicylate

2,3-dihydro-2-methyl-7-benzofurancarbonsaeuremethylester

2-methyl-2,3-dihydro-1-benzofuran

carbon dioxide

Downstream raw materials:

2-methyl-2,3-dihydro-benzofuran-7-carbonyl chloride

2,3-Dihydro-N-<4-(1,1-dimethylethyl)phenylmethyl>-N,2-dimethyl-7-benzofurancarboxamid

2-methyl-7-benzofurancarbonsaeure

N-(1-benzyl-2-pyrrolidinylmethyl)-2-methyl-5-sulfamoyl-2,3-dihydrobenzofuran-7-carboxamide