Bicyclo[3.1.0]hexane-2-carboxylic acid, 2-methyl-5-(1-methylethyl)-3-oxo-, (1S,2S,5S)- (9CI)

Base Information

Chemical Name:Bicyclo[3.1.0]hexane-2-carboxylic acid, 2-methyl-5-(1-methylethyl)-3-oxo-, (1S,2S,5S)- (9CI)
CAS No.:760175-74-4
Molecular Formula:C₁₁H₁₆O₃
Molecular Weight:196.246
Hs Code.:
Mol file:760175-74-4.mol

Synonyms:a-Thujone-4-carboxylic acid

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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 Bicyclo[3.1.0]hexane-2-carboxylic acid, 2-methyl-5-(1-methylethyl)-3-oxo-, (1S,2S,5S)- (9CI)

Chemical Property:

Boiling Point:316.8±25.0 °C(Predicted)
PKA:3.55±0.40(Predicted)
PSA：54.37000
Density:1 +-.0.06 g/cm3(Predicted)
LogP:1.71240

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Technology Process of Bicyclo[3.1.0]hexane-2-carboxylic acid, 2-methyl-5-(1-methylethyl)-3-oxo-, (1S,2S,5S)- (9CI)

There total 7 articles about Bicyclo[3.1.0]hexane-2-carboxylic acid, 2-methyl-5-(1-methylethyl)-3-oxo-, (1S,2S,5S)- (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: 100.0%

: 4-hydroxymethyl-α-thujone

: 760175-74-4
α-thujone-4-carboxylic acid

Guidance literature:: With jones reagent; In acetone; at 15 ℃; for 3h;
DOI:10.1021/jo0493267

Reference yield: 96.0%

: 74418-34-1
4β-(Hydroxymethyl)-thujan-3-one

: 74418-36-3,760175-74-4
Thujone-4β-carboxylic Acid

Guidance literature:: In acetone; at 15 ℃; for 0.5h;
DOI:10.1016/S0040-4039(00)71182-8

Reference yield:

: 10-methoxythujone

: 760175-74-4
α-thujone-4-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hexamethyldisilazide / tetrahydrofuran / 0.75 h / -78 °C

1.2: 90 percent / tetrahydrofuran / 3 h / -78 - 0 °C

2.1: 100 percent / BBr₃ / CH₂Cl₂ / 4 h / -78 - -20 °C

3.1: 100 percent / Jones reagent / acetone / 3 h / 15 °C

With jones reagent; sodium hexamethyldisilazane; boron tribromide; In tetrahydrofuran; dichloromethane; acetone; 3.1: Jones oxidation;
DOI:10.1021/jo0493267