Cedrenone

Base Information

Chemical Name:Cedrenone
CAS No.:30960-39-5
Deprecated CAS:146714-03-6
Molecular Formula:C15H22 O
Molecular Weight:218.339
Hs Code.:
European Community (EC) Number:250-405-3
UNII:T3DLB0924K
DSSTox Substance ID:DTXSID60885491
Nikkaji Number:J287.416D
Wikidata:Q27289616
Mol file:30960-39-5.mol

Synonyms:Cedrenone;30960-39-5;cedr-8-en-10-one;4H-3a,7-Methanoazulen-4-one, 1,2,3,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R,3aR,7S,8aS)-;T3DLB0924K;(1R,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-10-one;alpha-Cedrenone;[3R-(3alpha,3abeta,7beta,8aalpha)]-1,2,3,7,8,8a-hexahydro-3,6,8,8-tetramethyl-4H-3a,7-methanoazulen-4-one;UNII-T3DLB0924K;(3R-(3alpha,3abeta,7beta,8aalpha))-1,2,3,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-4H-3a,7-methanoazulen-4-one;EINECS 250-405-3;.ALPHA.-CEDRENONE;SCHEMBL20608610;.ALPHA.-CEDREN-10-ONE;DTXSID60885491;BGDCOEHXBFJKSF-OXJKWZBOSA-N;Q27289616;(3R,3AR,7S,8AS)-1,2,3,7,8,8A-HEXAHYDRO-3,6,8,8-TETRAMETHYL-4H-3A,7-METHANOAZULEN-4-ONE;4H-3A,7-METHANOAZULEN-4-ONE, 1,2,3,7,8,8A-HEXAHYDRO-3,6,8,8-TETRAMETHYL-, (3R-(3.ALPHA.,3A.BETA.,7.BETA.,8A.ALPHA.))-

Suppliers and Price of Cedrenone

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

Total 8 raw suppliers

Chemical Property of Cedrenone

Chemical Property:

Boiling Point:311.5±9.0 °C(Predicted)
Flash Point:136.393oC
PSA：17.07000
Density:1.02±0.1 g/cm3(Predicted)
LogP:3.59400
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:218.167065321
Heavy Atom Count:16
Complexity:390

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC2C13CC(C2(C)C)C(=CC3=O)C
Isomeric SMILES:C[C@@H]1CC[C@@H]2[C@@]13C[C@H](C2(C)C)C(=CC3=O)C

Technology Process of Cedrenone

There total 9 articles about Cedrenone 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: 53.0%

: 469-61-4
alpha-cedrene

: 30960-39-5
(3R,3aR,7S,8aS)-3,6,8,8-tetramethyl-1,2,3,7,8,8a-hexahydro-4H-3a,7-cedaran-4-one

Guidance literature:: With pyridine; tert.-butylhydroperoxide; N-hydroxy-3,4,5,6-tetrachlorophthalimide; lithium perchlorate; In acetone; chemoselective reaction; Electrochemical reaction;
DOI:10.1038/nature17431

Reference yield:

: 77-53-2
(+)-cedrol

: 30960-39-5
(3R,3aR,7S,8aS)-3,6,8,8-tetramethyl-1,2,3,7,8,8a-hexahydro-4H-3a,7-cedaran-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1.3 percent / Zn, pyridine / Fe₃O(OAc)6Pyr_3.5 / H₂O; acetic acid / 6 h / Ambient temperature

2: (CF₃CO)2O / 1 h / 20 °C

With pyridine; trifluoroacetic anhydride; zinc; Fe₃O(OAc)6Pyr_3.5; In water; acetic acid;
DOI:10.1002/hlca.19870700824