Beta-Elemene

Base Information

Chemical Name:Beta-Elemene
CAS No.:33880-83-0
Deprecated CAS:11033-44-6,20296-36-0,154028-29-2
Molecular Formula:C₁₅H₂₄
Molecular Weight:204.356
Hs Code.:
European Community (EC) Number:251-713-0,610-676-4
UNII:2QG8CX6LXD
DSSTox Substance ID:DTXSID40865690,DTXSID60881211
Nikkaji Number:J14.848B
Wikipedia:Elemene
Wikidata:Q27132237
NCI Thesaurus Code:C103177
Metabolomics Workbench ID:62460
ChEMBL ID:CHEMBL448502
Mol file:33880-83-0.mol

Synonyms:beta-elemene

Suppliers and Price of Beta-Elemene

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
β-Elemene
10mg
$ 235.00

Biosynth Carbosynth
Elemene - mixture of isomers
50 mg
$ 200.00

Biosynth Carbosynth
Elemene - mixture of isomers
25 mg
$ 150.00

Biosynth Carbosynth
Elemene - mixture of isomers
10 mg
$ 75.00

Biosynth Carbosynth
Elemene - mixture of isomers
5 mg
$ 50.00

Biosynth Carbosynth
Elemene - mixture of isomers
100 mg
$ 350.00

American Custom Chemicals Corporation
(1R,2R,4S)-1-ETHENYL-1-METHYL-2,4-DI(PROP-1-EN-2-YL)CYCLOHEXANE 95.00%
5MG
$ 495.79

Total 40 raw suppliers

Chemical Property of Beta-Elemene

Chemical Property:

Vapor Pressure:0.031mmHg at 25°C
Refractive Index:1.501
Boiling Point:252.144 °C at 760 mmHg
Flash Point:98.341 °C
PSA：0.00000
Density:0.862 g/cm³
LogP:4.74720
XLogP3:6.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:3
Exact Mass:204.187800766
Heavy Atom Count:15
Complexity:284

Purity/Quality:

99% ^*data from raw suppliers

β-Elemene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C
Isomeric SMILES:CC(=C)[C@@H]1CC[C@@]([C@@H](C1)C(=C)C)(C)C=C
Recent ClinicalTrials:Elemene Plus Stupp Protocol Versus Stupp Protocol Alone for Newly-diagnosed Glioblastoma
Uses β-Elemene is an active constituent of Delonix regia and an anti-inflammatory agent. β-Elemene is a useful compound for investigating the toll-like receptor 4 signaling pathway and the inhibition of TNF-?a, IL-?1b, IL-?6 and IL-?12 expressions.

Technology Process of Beta-Elemene

There total 51 articles about Beta-Elemene 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: 95.0%

: 2-((1R,2R,3R,6R)-2,6-Diisopropenyl-3-methyl-3-vinyl-cyclohexyloxy)-1,3-dimethyl-[1,3,2]diazaphospholidine 2-oxide

: 515-13-9,33880-83-0,68036-14-6,100762-52-5,110823-68-2,13833-25-5
β-elemene

Guidance literature:: With tert-Amyl alcohol; ammonia; lithium; In tetrahydrofuran; at -33 ℃; for 10h;

Reference yield: 89.0%

: 2065-66-9
methyl-triphenylphosphonium iodide

: (1RS,2SR,4RS)-4-acetyl-2-isopropenyl-1-methylcyclohexane-1-carbaldehyde

: 515-13-9,13833-25-5,33880-83-0,68036-14-6,100762-52-5,110823-68-2
(+/-)-β-elemene

Guidance literature:: methyl-triphenylphosphonium iodide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 0.666667h;

(1RS,2SR,4RS)-4-acetyl-2-isopropenyl-1-methylcyclohexane-1-carbaldehyde; In tetrahydrofuran; hexane; at -78 - 20 ℃;
DOI:10.1016/S0040-4020(00)01130-3

Reference yield: 82.0%

: (1R*,2S*,4R*)-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexanecarbaldehyde

: 1779-49-3
Methyltriphenylphosphonium bromide

: 515-13-9,13833-25-5,33880-83-0,68036-14-6,100762-52-5,110823-68-2
(+/-)-β-elemene

Guidance literature:: Methyltriphenylphosphonium bromide; With n-butyllithium; In tetrahydrofuran; at 20 ℃; for 0.333333h; Inert atmosphere; Cooling;

(1R*,2S*,4R*)-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexanecarbaldehyde; In tetrahydrofuran; for 0.5h; Inert atmosphere; Cooling;
DOI:10.1002/ejoc.201800800