1,5-Cyclohexadiene-1-carboxylic acid, methyl ester

Base Information

Chemical Name:1,5-Cyclohexadiene-1-carboxylic acid, methyl ester
CAS No.:40002-24-2
Molecular Formula:C8H10O2
Molecular Weight:138.166
Hs Code.:
DSSTox Substance ID:DTXSID60478605
Nikkaji Number:J1.101.723A
Wikidata:Q82312093
Mol file:40002-24-2.mol

Synonyms:40002-24-2;1,5-Cyclohexadiene-1-carboxylic acid, methyl ester;methyl-3,4-dihydrobenzoate;SCHEMBL896075;DTXSID60478605

Suppliers and Price of 1,5-Cyclohexadiene-1-carboxylic acid, methyl ester

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1,5-Cyclohexadiene-1-carboxylic acid, methyl ester

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:138.068079557
Heavy Atom Count:10
Complexity:189

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CCCC=C1

Technology Process of 1,5-Cyclohexadiene-1-carboxylic acid, methyl ester

There total 7 articles about 1,5-Cyclohexadiene-1-carboxylic acid, methyl ester 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:

: 67-56-1
methanol

: 784213-45-2
Cyclohexa-1,5-dienecarbonyl chloride

: 40002-24-2
methyl 1,3-cyclohexadiene-2-carboxylate

Guidance literature:: With pyridine; In tetrahydrofuran; at 25 ℃; for 1h; Yield given;
DOI:10.1021/jo00211a025

Reference yield:

: 93-58-3,5705-52-2,80226-58-0
benzoic acid methyl ester

: 40002-24-2
methyl 1,3-cyclohexadiene-2-carboxylate

Guidance literature:: With ammonia; sodium; In ethanol; at -78 ℃; for 3h;
DOI:10.1039/c7ob01236e

Reference yield:

: 40002-23-1
cyclohexa-1,5-diene-1-carboxylic acid

: 40002-24-2
methyl 1,3-cyclohexadiene-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: oxalyl chloride, DMF / tetrahydrofuran / 18 h / 25 °C

2: pyridine / tetrahydrofuran / 1 h / 25 °C

With pyridine; oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran;
DOI:10.1021/jo00211a025