Methyl 1,3-dimethylcyclohexa-2,5-diene-1-carboxylate

Base Information

Chemical Name:Methyl 1,3-dimethylcyclohexa-2,5-diene-1-carboxylate
CAS No.:83766-83-0
Molecular Formula:C10H14O2
Molecular Weight:166.22
Hs Code.:
DSSTox Substance ID:DTXSID00511065
Nikkaji Number:J2.160.879C

Synonyms:Methyl 1,3-dimethylcyclohexa-2,5-diene-1-carboxylate;83766-83-0;DTXSID00511065

Suppliers and Price of Methyl 1,3-dimethylcyclohexa-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 1,3-dimethylcyclohexa-2,5-diene-1-carboxylate

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:166.099379685
Heavy Atom Count:12
Complexity:251

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(C=CC1)(C)C(=O)OC

Technology Process of Methyl 1,3-dimethylcyclohexa-2,5-diene-1-carboxylate

There total 5 articles about Methyl 1,3-dimethylcyclohexa-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: 92.0%

: 41725-95-5
methyl 3-methylcyclohexa-2,5-dienecarboxylate

: 74-88-4
methyl iodide

: 83766-83-0
methyl 1,3-dimethyl-2,5-cyclohexadiene-1-carboxylate

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

Reference yield: 83.0%

: 1515-87-3
methyl 3-(methoxymethyl)benzoate

: 74-88-4
methyl iodide

: 1410799-92-6
C₁₁H₁₆O₃

: 83766-83-0
methyl 1,3-dimethyl-2,5-cyclohexadiene-1-carboxylate

: 620-23-5
m-tolyl aldehyde

Guidance literature:: methyl 3-(methoxymethyl)benzoate; With ammonia; lithium; tert-butyl alcohol; In tetrahydrofuran; at -65 - 15 ℃; for 0.416667h; Inert atmosphere;

methyl iodide; With ammonium chloride; In tetrahydrofuran; at -65 - 20 ℃; for 0.833333h; Inert atmosphere;
DOI:10.1021/jo301872n

Reference yield: 78.0%

: 99-36-5
1-methoxycarbonyl-3-methylbenzene

: 74-88-4
methyl iodide

: 83766-83-0
methyl 1,3-dimethyl-2,5-cyclohexadiene-1-carboxylate

Guidance literature:: 1-methoxycarbonyl-3-methylbenzene; With ammonia; lithium; tert-butyl alcohol; In tetrahydrofuran; at -65 - 15 ℃; for 2.5h; Inert atmosphere;

methyl iodide; With ammonium chloride; In tetrahydrofuran; at -65 ℃; for 0.833333h; Inert atmosphere;
DOI:10.1021/jo301872n