Methyl 5-hydroxycyclohexa-1,3-diene-1-carboxylate

Base Information

Chemical Name:Methyl 5-hydroxycyclohexa-1,3-diene-1-carboxylate
CAS No.:83604-10-8
Molecular Formula:C8H10O3
Molecular Weight:154.166
Hs Code.:
DSSTox Substance ID:DTXSID90516600

Synonyms:Methyl 5-hydroxycyclohexa-1,3-diene-1-carboxylate;83604-10-8;DTXSID90516600;methyl 5-hydroxy-1,3-cyclohexadiene-1-carboxylate;rac-methyl 5-hydroxycyclohexa-1,3-diene-1-carboxylate;5-hydroxy-cyclohexa-1,3-diene-1-carboxylic acid methyl ester

Suppliers and Price of Methyl 5-hydroxycyclohexa-1,3-diene-1-carboxylate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of Methyl 5-hydroxycyclohexa-1,3-diene-1-carboxylate

Chemical Property:

XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:154.062994177
Heavy Atom Count:11
Complexity:215

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 5-hydroxycyclohexa-1,3-diene-1-carboxylate

There total 5 articles about Methyl 5-hydroxycyclohexa-1,3-diene-1-carboxylate 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: 80.0%

: 83604-09-5,156413-21-7
methyl 7-oxabicyclo<4.1.0>hept-3-ene-3-carboxylate

: 83604-10-8
rac-methyl 5-hydroxycyclohexa-1,3-diene-1-carboxylate

Guidance literature:: With 2,6-dichloro-benzonitrile; In diethyl ether; for 25h; Heating;
DOI:10.1021/ja00389a025

Reference yield: 38.0%

: 21987-33-7,204988-60-3
7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid,methyl ester

: 83604-10-8
rac-methyl 5-hydroxycyclohexa-1,3-diene-1-carboxylate

Guidance literature:: With n-butyllithium; 1,1,1,3,3,3-hexamethyl-disilazane; In tetrahydrofuran; at -78 - -47 ℃; for 2h; Inert atmosphere;
DOI:10.1007/s00706-017-2100-z

Reference yield:

: 50983-21-6
1,4-Cyclohexadien-1-carbonsaeure-methylester

: 83604-10-8
rac-methyl 5-hydroxycyclohexa-1,3-diene-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / NaOAc, 40percent peracetic acid / CHCl₃ / 17 h / Ambient temperature

2: 80 percent / DBN / diethyl ether / 25 h / Heating

With peracetic acid; 2,6-dichloro-benzonitrile; sodium acetate; In diethyl ether; chloroform;
DOI:10.1021/ja00389a025