2-Isopropyl-4,8-dimethylazulene

Base Information

• Chemical Name: 2-Isopropyl-4,8-dimethylazulene
• CAS No.: 529-08-8
• Molecular Formula: C15H18
• Molecular Weight: 198.308
• Hs Code.: 2902909090
• European Community (EC) Number: 208-450-1
• UNII: 5DFF5RUP6X
• DSSTox Substance ID: DTXSID80200940
• Nikkaji Number: J182.294B
• Wikipedia: Vetivazulene
• Wikidata: Q2862043
• Mol file: 529-08-8.mol

Synonyms:Vetivazulene;2-Isopropyl-4,8-dimethylazulene;529-08-8;EINECS 208-450-1;5DFF5RUP6X;UNII-5DFF5RUP6X;DTXSID80200940;AZULENE, 2-ISOPROPYL-4,8-DIMETHYL-;Azulene, 4,8-dimethyl-2-(1-methylethyl)-;Q2862043;4,8-DIMETHYL-2-(1-METHYLETHYL)AZULENE (ACI)

Chemical Property of 2-Isopropyl-4,8-dimethylazulene

Chemical Property:

• Vapor Pressure: 0.0015mmHg at 25°C
• Melting Point: 32.3°C
• Refractive Index: 1.3166 (estimate)
• Boiling Point: 305.2°Cat760mmHg
• Flash Point: 142.1°C
• PSA: 0.00000
• Density: 0.961g/cm³
• LogP: 4.53160
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 198.140850574
• Heavy Atom Count: 15
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=C(C=C2C(=CC=C1)C)C(C)C

Technology Process of 2-Isopropyl-4,8-dimethylazulene

There total 24 articles about 2-Isopropyl-4,8-dimethylazulene 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: 80.0%

4,8-dimethylcyclohepta[b]furan-2(2H)-one + 2-(1-pyrrolidinyl)-3-methyl-1-butene (1806-12-8) → vetivazulene (529-08-8)

Guidance literature:

In toluene; tert-butyl alcohol; at 120 - 130 ℃;

DOI:10.1055/s-2002-25363

Reference yield: 19.0%

2-(4,8-Bis-hydroxymethyl-octahydro-azulen-2-ylidene)-propan-1-ol (82031-56-9) → vetivazulene (529-08-8)

Guidance literature:

With selenium; at 300 ℃; for 3h;

Reference yield:

(-)-β-vetivone (18444-79-6) → vetivazulene (529-08-8)

Guidance literature:

With selenium; at 270 - 300 ℃; unter CO₂;

DOI:10.1002/hlca.19400230197

upstream raw materials:

diazomethane

2-isopropyl-4,7-dimethyl-octahydro-inden-5-one

diazoacetic acid ethyl ester

2-Isopropyl-4,7-dimethyl-indan

Downstream raw materials:

oxalic acid

acetic acid

acetone

isobutyric Acid