(1alpha,4beta,6alpha)-4,7,7-Trimethylbicyclo(4.1.0)heptan-3-one

Base Information Edit

Chemical Name:(1alpha,4beta,6alpha)-4,7,7-Trimethylbicyclo(4.1.0)heptan-3-one
CAS No.:24278-58-8
Molecular Formula:C10H16 O
Molecular Weight:152.236
Hs Code.:2914299000
European Community (EC) Number:256-104-3,246-117-2
DSSTox Substance ID:DTXSID801177139
Nikkaji Number:J287.199H
Mol file:24278-58-8.mol

Synonyms:EINECS 256-104-3;43124-59-0;24278-58-8;(1alpha,4beta,6alpha)-4,7,7-Trimethylbicyclo(4.1.0)heptan-3-one;EINECS 246-117-2;(1alpha,4beta,6alpha)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one;Bicyclo(4.1.0)heptan-3-one, 4,7,7-trimethyl-, (1S-(1alpha,4beta,6alpha))-;Bicyclo[4.1.0]heptan-3-one, 4,7,7-trimethyl-, [1S-(1alpha,4beta,6alpha)]-;(1S-(1alpha,4beta,6alpha))-4,7,7-Trimethylbicyclo(4.1.0)heptan-3-one;[1S-(1alpha,4beta,6alpha)]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one;DTXSID801177139;(1S,6R)-4beta,7,7-Trimethylbicyclo[4.1.0]heptan-3-one;Bicyclo(4.1.0)heptan-3-one, 4,7,7-trimethyl-, (1alpha,4beta,6alpha)-

Suppliers and Price of (1alpha,4beta,6alpha)-4,7,7-Trimethylbicyclo(4.1.0)heptan-3-one

Supply Marketing:Edit

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 (1alpha,4beta,6alpha)-4,7,7-Trimethylbicyclo(4.1.0)heptan-3-one Edit

Chemical Property:

Boiling Point:208.5oC at 760 mmHg
Flash Point:72.8oC
PSA：17.07000
Density:0.95g/cm3
LogP:2.25760
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:152.120115130
Heavy Atom Count:11
Complexity:205

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC2C(C2(C)C)CC1=O
Isomeric SMILES:C[C@H]1C[C@@H]2[C@@H](C2(C)C)CC1=O

Technology Process of (1alpha,4beta,6alpha)-4,7,7-Trimethylbicyclo(4.1.0)heptan-3-one

There total 29 articles about (1alpha,4beta,6alpha)-4,7,7-Trimethylbicyclo(4.1.0)heptan-3-one 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: 16.5%

: 936-91-4,936-92-5,2225-98-1,21218-11-1,35671-18-2
α-3,4-Epoxycarane

: 99-87-6
4-methylisopropylbenzene

: 13124-67-9
3,6,6-trimethylbicyclo<3.1.0>hexane-3-carboxaldehyde

: 10395-46-7,19898-58-9,19898-59-0,19898-60-3,19898-61-4,22556-08-7,38741-11-6,57457-02-0,57526-47-3,81371-67-7
3β,4α-dihydroxy-3-carane

: 4176-01-6,4176-04-9,13124-69-1,24278-58-8,43124-59-0,43124-60-3,52153-58-9,135559-92-1
trans-4-caranone

Guidance literature:: rhenium(VII) oxide on aluminum oxide; at 150 ℃; for 1h; Product distribution; in sealed tube, other catalysts and reaction time tested;

Reference yield:

: 13466-78-9,19079-29-9
3-carene

: 4176-01-6,4176-04-9,13124-69-1,24278-58-8,43124-59-0,43124-60-3,52153-58-9,135559-92-1
cis-carane-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogen peroxide / acetonitrile / Irradiation

2: oxidation

With dihydrogen peroxide; In acetonitrile;
DOI:10.1016/S0040-4020(01)82107-4