Methyl cyclohexa-1,4-diene-1-carboxylate

Base Information

Chemical Name:Methyl cyclohexa-1,4-diene-1-carboxylate
CAS No.:50983-21-6
Molecular Formula:C8H10O2
Molecular Weight:138.166
Hs Code.:
NSC Number:168016
DSSTox Substance ID:DTXSID60304894
Wikidata:Q82051202
Mol file:50983-21-6.mol

Synonyms:50983-21-6;methyl cyclohexa-1,4-diene-1-carboxylate;NSC168016;SCHEMBL11277339;DTXSID60304894;MQVGWLAOVAXSOP-UHFFFAOYSA-N;AKOS024436691;NSC-168016;Methyl 1,4-cyclohexadiene-1-carboxylate;Methyl 1,4-cyclohexadiene-1-carboxylate #;1,4-Cyclohexadiene-1-carboxylic acid, methyl ester

Suppliers and Price of Methyl cyclohexa-1,4-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
Packaging
price

Total 4 raw suppliers

Chemical Property of Methyl cyclohexa-1,4-diene-1-carboxylate

Chemical Property:

Vapor Pressure:0.553mmHg at 25°C
Boiling Point:190°C at 760 mmHg
Flash Point:66.1°C
Density:1.073g/cm³
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:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CCC=CC1

Technology Process of Methyl cyclohexa-1,4-diene-1-carboxylate

There total 11 articles about Methyl cyclohexa-1,4-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: 64.0%

: 74502-21-9
(1S,2R)-3-Acetoxy-cyclohex-4-ene-1,2-dicarboxylic acid 1-methyl ester

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

Guidance literature:: With triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; for 18h; Product distribution; new highly stereocontrolled palladium catalyzed diene synthesis, reaction time effect on product type;
DOI:10.1021/ja00528a056

Reference yield:

: 60729-55-7
cis-methyl 5-acetoxycyclohex-3-enecarboxylate

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

: 25662-37-7
methyl cyclohex-2-en-1-carboxylate

: 6493-77-2
methyl cyclohex-3-ene-1-carboxylate

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

Guidance literature:: With trimethylammonium acetate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; for 3.5h; Heating;
DOI:10.1021/ja00534a029

Reference yield:

: 4720-83-6
6-oxabicyclo[3.2.1]oct-3-en-7-one

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

Guidance literature:: Multi-step reaction with 6 steps

1: 82 percent / sodium methoxide / 10 h / Ambient temperature

2: 77 percent / perchloric acid / ethyl acetate; H₂O / 2 h / Ambient temperature

3: 70 percent / sodium methoxide / methanol / 7.5 h / Ambient temperature

4: 40 percent / sodium methoxide / benzene / 3 h / Heating

5: pyridine / 9 h / Ambient temperature

6: trimethylammonium acetate / tetrakis(triphenylphosphine)palladium⁽⁰⁾ / tetrahydrofuran / 3.5 h / Heating

With pyridine; perchloric acid; trimethylammonium acetate; sodium methylate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; methanol; water; ethyl acetate; benzene;
DOI:10.1021/ja00534a029