1,4,5,6,7,8-Hexahydro-2-methylazulene

Base Information

• Chemical Name: 1,4,5,6,7,8-Hexahydro-2-methylazulene
• CAS No.: 769-87-9
• Molecular Formula: C11H16
• Molecular Weight: 148.248
• DSSTox Substance ID: DTXSID301287915
• Mol file: 769-87-9.mol

Synonyms:DTXSID301287915;769-87-9;1,4,5,6,7,8-Hexahydro-2-methylazulene

Chemical Property of 1,4,5,6,7,8-Hexahydro-2-methylazulene

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 148.125200510
• Heavy Atom Count: 11
• Complexity: 218

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C1)CCCCC2

Technology Process of 1,4,5,6,7,8-Hexahydro-2-methylazulene

There total 1 articles about 1,4,5,6,7,8-Hexahydro-2-methylazulene 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:

1-(2'-methylpropa-1',3'-dienyl)-7-bicyclo<4.1.0>heptane (89657-10-3) → 2-methylazulene (769-86-8) + 9-methylbicyclo<5.3.0>deca-1(7),9-diene (769-87-9)

Guidance literature:

With (E)-3-phenylacrylic acid; palladium on activated charcoal; Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) benzene, 225 deg C, 8 h, 2.) benzene, 140 deg C, 44 h;

DOI:10.1021/ja00076a037

Reference yield:

9-methylbicyclo<5.3.0>deca-1(7),9-diene (769-87-9) → 2-methylazulene (769-86-8)

Guidance literature:

With sulfur; at 220 ℃; under 400 Torr;

DOI:10.1016/S0040-4020(01)98500-X

upstream raw materials:

1-(2'-methylpropa-1',3'-dienyl)-7-bicyclo<4.1.0>heptane

Downstream raw materials:

2-methylazulene

Refernces