Sesquicarene

Base Information

• Chemical Name: Sesquicarene
• CAS No.: 20479-23-6
• Molecular Formula: C15H24
• Molecular Weight: 204.35
• UNII: D809DOS894
• DSSTox Substance ID: DTXSID00942653
• Nikkaji Number: J16.239F
• Wikidata: Q27151399
• Metabolomics Workbench ID: 28250
• Mol file: 20479-23-6.mol

Synonyms:Sesquicarene;20479-23-6;(-)-Sesquicarene;UNII-D809DOS894;D809DOS894;2-Norcarene, 3,7-dimethyl-7-(4-methyl-3-pentenyl)-;Bicyclo(4.1.0)hept-2-ene, 3,7-dimethyl-7-(4-methyl-3-penten-1-yl)-, (1R,6S,7R)-;Bicyclo(4.1.0)hept-2-ene, 3,7-dimethyl-7-(4-methyl-3-pentenyl)-, (1R,6S,7R)-;Bicyclo(4.1.0)hept-2-ene, 3,7-dimethyl-7-(4-methyl-3-pentenyl)-, (1R-(1alpha,6alpha,7alpha))-;(1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene;CHEBI:80901;DTXSID00942653;LMPR0103070001;C17065;Q27151399;3,7-DIMETHYL-7-(4-METHYLPENT-3-EN-1-YL)BICYCLO[4.1.0]HEPT-2-ENE;BICYCLO(4.1.0)HEPT-2-ENE, 3,7-DIMETHYL-7-(4-METHYL-3-PENTENYL)-, (1R-(1.ALPHA.,6.ALPHA.,7.ALPHA.))-

Chemical Property of Sesquicarene

Chemical Property:

• Boiling Point: 259.5±7.0 °C(Predicted)
• PSA: 0.00000
• Density: 0.881±0.06 g/cm3(Predicted)
• LogP: 4.72520
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 204.187800766
• Heavy Atom Count: 15
• Complexity: 304

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C(C2(C)CCC=C(C)C)CC1
• Isomeric SMILES: CC1=C[C@@H]2[C@@H]([C@@]2(C)CCC=C(C)C)CC1

Technology Process of Sesquicarene

There total 90 articles about Sesquicarene 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: 70.0%

C15H26O (820239-01-8) → 2-sesquicarene (20479-23-6,23957-85-9,24406-01-7)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 20 ℃;

DOI:10.1002/chem.200501299

Reference yield: 47.0%

Farnesal (502-67-0) → 2-sesquicarene (20479-23-6,23957-85-9,24406-01-7)

Guidance literature:

With amalgamated zinc; 1,2-bis-(chlorodimethylsilyl)ethane; In diethyl ether; Heating;

DOI:10.1016/0040-4039(94)02410-D

Reference yield: 43.0%

[(1R,6S)-3-Methyl-7-(4-methyl-pent-3-enyl)-bicyclo[4.1.0]hept-2-en-7-yl]-acetaldehyde (86105-56-8) → (+/-)-Sesquicarene (20479-23-6,23957-85-9,24406-01-7)

Guidance literature:

With Wilkinson's catalyst; In acetonitrile; for 0.0833333h; Heating;

DOI:10.1246/bcsj.58.211

upstream raw materials:

l-Monodeoxysirenin

3,7-Dimethyl-7-(4-methyl-pent-3-enyl)-bicyclo[4.1.0]heptan-2-ol

ethyl 2-methyl-5-oxopentanoate

2,6,10-trimethyl-undeca-5,9-dienoic acid

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