[(1R,5S)-6,6-Dimethyl-4-oxobicyclo[3.1.1]hept-2-en-2-yl]methyl 2,2-dimethylpropanoate

Base Information

Chemical Name:[(1R,5S)-6,6-Dimethyl-4-oxobicyclo[3.1.1]hept-2-en-2-yl]methyl 2,2-dimethylpropanoate
CAS No.:76163-96-7
Molecular Formula:C₁₅H₂₂O₃
Molecular Weight:250.338
Hs Code.:2915900090
DSSTox Substance ID:DTXSID601127483
Mol file:76163-96-7.mol

Synonyms:SCHEMBL24281977;DTXSID601127483;[(1R,5S)-6,6-Dimethyl-4-oxobicyclo[3.1.1]hept-2-en-2-yl]methyl 2,2-dimethylpropanoate

Suppliers and Price of [(1R,5S)-6,6-Dimethyl-4-oxobicyclo[3.1.1]hept-2-en-2-yl]methyl 2,2-dimethylpropanoate

Supply Marketing:

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

TRC
O-tert-Butyl-carbonyl-4-oxoMyrtenol
500mg
$ 1320.00

Medical Isotopes, Inc.
O-tert-Butyl-carbonyl-4-oxoMyrtenol
500 mg
$ 2200.00

American Custom Chemicals Corporation
(1R,5R)-6,6-DIMETHYL-4-OXO-BICYCLO[3.1.1]HEPT-2-EN-2-YL-2,2-DIMETHYL-PROPIONIC ACID METHYL ESTER 95.00%
5MG
$ 496.88

Total 0 raw suppliers

Chemical Property of [(1R,5S)-6,6-Dimethyl-4-oxobicyclo[3.1.1]hept-2-en-2-yl]methyl 2,2-dimethylpropanoate

Chemical Property:

PSA：43.37000
LogP:2.74710
Storage Temp.:Refrigerator
Solubility.:Dichloromethane, Ethyl Acetate, Methanol
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:250.15689456
Heavy Atom Count:18
Complexity:424

Purity/Quality:: O-tert-Butyl-carbonyl-4-oxoMyrtenol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C2CC1C(=O)C=C2COC(=O)C(C)(C)C)C
Isomeric SMILES:CC1([C@H]2C[C@@H]1C(=O)C=C2COC(=O)C(C)(C)C)C

Technology Process of [(1R,5S)-6,6-Dimethyl-4-oxobicyclo[3.1.1]hept-2-en-2-yl]methyl 2,2-dimethylpropanoate

There total 9 articles about [(1R,5S)-6,6-Dimethyl-4-oxobicyclo[3.1.1]hept-2-en-2-yl]methyl 2,2-dimethylpropanoate 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: 55.0%

: 76163-95-6
(1R,5S)-2-[(2,2-dimethylpropoyloxy)methyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene

: 76163-96-7
(1S,5R)-4-[(2,2-dimethylpropoyloxy)methyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one

Guidance literature:: (1R,5S)-2-[(2,2-dimethylpropoyloxy)methyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene; With 3,5-dimethyl-1H-pyrazole; chromium(VI) oxide; In dichloromethane; at -20 ℃; for 4h; Inert atmosphere;

With sodium hydroxide; In dichloromethane; water; at -20 - 0 ℃; for 1h; Inert atmosphere;

Reference yield:

: 113473-31-7
[(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl 2,2-dimethylpropanoate

: 76163-96-7,113473-32-8
4-oxo-myrtenyl pivalate

Guidance literature:: With sodium chromate(VI); In acetic anhydride; acetic acid; at 35 ℃; for 72h; Yield given;
DOI:10.1016/S0957-4166(00)86322-3