Methyl 1-methylcyclohexa-2,5-diene-1-carboxylate

Base Information

Chemical Name:Methyl 1-methylcyclohexa-2,5-diene-1-carboxylate
CAS No.:59034-54-7
Molecular Formula:C9H12O2
Molecular Weight:152.193
Hs Code.:
DSSTox Substance ID:DTXSID40511064
Nikkaji Number:J2.160.877G

Synonyms:Methyl 1-methylcyclohexa-2,5-diene-1-carboxylate;59034-54-7;SCHEMBL5185837;DTXSID40511064

Suppliers and Price of Methyl 1-methylcyclohexa-2,5-diene-1-carboxylate

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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 Methyl 1-methylcyclohexa-2,5-diene-1-carboxylate

Chemical Property:

Boiling Point:185.5±40.0 °C(Predicted)
PSA：26.30000
Density:1.020±0.06 g/cm3(Predicted)
LogP:1.68180
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:152.083729621
Heavy Atom Count:11
Complexity:202

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(C=CCC=C1)C(=O)OC

Technology Process of Methyl 1-methylcyclohexa-2,5-diene-1-carboxylate

There total 5 articles about Methyl 1-methylcyclohexa-2,5-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: 84.0%

: 30889-20-4
methyl cyclohexa-2,5-diene-1-carboxylate

: 74-88-4
methyl iodide

: 59034-54-7
1-methyl-cyclohexa-2,5-dienecarboxylic acid methyl ester

Guidance literature:: With lithium diisopropyl amide; Hexamethylphosphorous triamide; In tetrahydrofuran; 1.) -78 deg C, 2 h; 2.) -78 deg C to rt.;

Reference yield: 22.7%

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

: 74-88-4
methyl iodide

: 59034-54-7
1-methyl-cyclohexa-2,5-dienecarboxylic acid methyl ester

Guidance literature:: benzoic acid methyl ester; With ammonia; sodium; In tetrahydrofuran; tert-butyl alcohol; at -78 ℃; for 1h;

methyl iodide; In tetrahydrofuran; tert-butyl alcohol; at -78 ℃;
DOI:10.1021/ja047027t