Carbonic acid, 2-methyl-1-cyclohexen-1-yl 2-methyl-2-propenyl ester (9CI)

Base Information

• Chemical Name: Carbonic acid, 2-methyl-1-cyclohexen-1-yl 2-methyl-2-propenyl ester (9CI)
• CAS No.: 812639-00-2
• Molecular Formula: C12H18 O3
• Molecular Weight: 210.273
• Mol file: 812639-00-2.mol

Synonyms:Carbonic acid, 2-methyl-1-cyclohexen-1-yl 2-methyl-2-propenyl ester (9CI)

Chemical Property of Carbonic acid, 2-methyl-1-cyclohexen-1-yl 2-methyl-2-propenyl ester (9CI)

Chemical Property:

• PSA: 35.53000
• LogP: 3.56370

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Carbonic acid, 2-methyl-1-cyclohexen-1-yl 2-methyl-2-propenyl ester (9CI)

There total 2 articles about Carbonic acid, 2-methyl-1-cyclohexen-1-yl 2-methyl-2-propenyl ester (9CI) 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: 16.1%

2-methylallyl chloroformate (42068-70-2) + 1-trimethylsilyloxy-2-methyl-1-cyclohexene (19980-35-9) → 2-methylallyl 2-methylcyclohex-1-enyl carbonate (812639-00-2)

Guidance literature:

1-trimethylsilyloxy-2-methyl-1-cyclohexene; With potassium tert-butylate; In tetrahydrofuran; at -60 ℃; for 2.5h;

2-methylallyl chloroformate; In tetrahydrofuran; at -50 ℃; for 1h;

DOI:10.1021/ja044812x

Reference yield: 16.0%

2-methylallyl chloroformate (42068-70-2) + 2-Methylcyclohexanone (583-60-8) → 2-methylallyl 2-methylcyclohex-1-enyl carbonate (812639-00-2)

Guidance literature:

2-Methylcyclohexanone; With potassium tert-butylate; In tetrahydrofuran; at -78 - -60 ℃; for 2.53333h; Inert atmosphere;

2-methylallyl chloroformate; In tetrahydrofuran; at -50 ℃; for 1h; Inert atmosphere;

DOI:10.1002/chem.201003383

Reference yield: 89.0%

2-methylallyl 2-methylcyclohex-1-enyl carbonate (812639-00-2) → 2-methyl-2-(2-methylallyl)cyclohexanone

Guidance literature:

tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; (S)-4-tert-butyl-2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-1,3-oxazol; In tetrahydrofuran; at 25 ℃; for 8h; Product distribution / selectivity;

upstream raw materials:

2-methylallyl chloroformate

1-trimethylsilyloxy-2-methyl-1-cyclohexene

2-Methylcyclohexanone

Downstream raw materials:

2-Methyl-2-methallyl-cyclohexanon

Refernces

• 1、 Behenna, Douglas C.,Stoltz, Brian M.. "The enantioselective Tsuji allylation". . p. 15044 - 15045. Retrieved 2007/10/03.