beta-Cembrenediol

Base Information Edit

Chemical Name:beta-Cembrenediol
CAS No.:57605-81-9
Deprecated CAS:58190-98-0,1260070-00-5
Molecular Formula:C20H34O2
Molecular Weight:306.48
Hs Code.:
Nikkaji Number:J274.253E,J1.483.447H
Wikidata:Q105237188
Mol file:57605-81-9.mol

Synonyms:beta-Cembrenediol;57605-81-9;(+)-beta-Cembratrienediol;beta-2,7,11-Cembratriene-4,6-diol;(1R,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol;CCRIS 5453;beta-4,8,13-Duvatriene-1,3-diol;(1R-(1R*,3R*,4E,8E,12S*,13E))-1,5,9-Trimethyl-12-(1-methylethyl)-4,8,13-cyclotetradecatriene-1,3-diol;alpha-CBT-diol;beta -Cembrenediol;( )-beta-Cembratrienediol;4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, (1R,3R,4E,8E,12S,13E)-;4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, (1R-(1R*,3R*,4E,8E,12S*,13E))-

Suppliers and Price of beta-Cembrenediol

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

TRC
β-Cembrenediol
10mg
$ 800.00

Cayman Chemical
β-Cembrenediol ≥98%
10mg
$ 251.00

Cayman Chemical
β-Cembrenediol ≥98%
5mg
$ 142.00

Cayman Chemical
β-Cembrenediol ≥98%
1mg
$ 32.00

AK Scientific
beta-Cembrenediol
5mg
$ 276.00

Total 4 raw suppliers

Chemical Property of beta-Cembrenediol Edit

Chemical Property:

Vapor Pressure:2.87E-09mmHg at 25°C
Refractive Index:1.486
Boiling Point:431.8°Cat760mmHg
Flash Point:187.4°C
PSA：40.46000
Density:0.932g/cm³
LogP:4.78340
Storage Temp.:Amber Vial, -20°C Freezer
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:306.255880323
Heavy Atom Count:22
Complexity:431

Purity/Quality:

98% ^*data from raw suppliers

β-Cembrenediol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CCCC(=CC(CC(C=CC(CC1)C(C)C)(C)O)O)C
Isomeric SMILES:C/C/1=C/CC/C(=C\[C@@H](C[C@@](/C=C\[C@@H](CC1)C(C)C)(C)O)O)/C
Uses β-Cembrenediol is an inhibitor of tumor promotion. Novel c-Met inhibitors which are used in anticancer treatments.

Technology Process of beta-Cembrenediol

There total 9 articles about beta-Cembrenediol 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: 88.0%

: (2E,6E,11E)-(10S,13R)-13-Hydroxy-10-isopropyl-3,7,13-trimethyl-cyclotetradeca-2,6,11-trienone

: 57605-81-9
(1S,2E,4R,6R,7E,11E)-cembra-2,7,11-triene-4,6-diol

: (4E,8E,13E)-(1R,3S,12S)-12-Isopropyl-1,5,9-trimethyl-cyclotetradeca-4,8,13-triene-1,3-diol

Guidance literature:: With sodium tetrahydroborate; cerium(III) chloride; In methanol; for 0.166667h; Yields of byproduct given;
DOI:10.1016/0031-9422(88)80427-8

Reference yield:

: 57605-80-8
(4E,8E,13E)-(1S,3R,12S)-12-Isopropyl-1,5,9-trimethyl-cyclotetradeca-4,8,13-triene-1,3-diol

: 7220-78-2,57605-80-8,57605-81-9,87554-04-9,87554-05-0,116348-80-2,121916-90-3,122620-36-4
(4E,8E,12S,13E)-12-isopropyl-1,5,9-trimethyl-cyclotetradeca-4,8,13-triene-1,3-diol

Guidance literature:: With ammonia; sodium; In tetrahydrofuran; at -40 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1016/S0040-4039(01)80357-9