1-Chloro-3,7-dimethyl-octa-2,6-diene

Base Information

• Chemical Name: 1-Chloro-3,7-dimethyl-octa-2,6-diene
• CAS No.: 4490-10-2
• Molecular Formula: C10H17Cl
• Molecular Weight: 172.698
• Mol file: 4490-10-2.mol

Synonyms:1-Chloro-3,7-dimethyl-octa-2,6-diene;FT-0626660

Chemical Property of 1-Chloro-3,7-dimethyl-octa-2,6-diene

Chemical Property:

• Vapor Pressure: 0.118mmHg at 25°C
• Boiling Point: 227.2°Cat760mmHg
• Flash Point: 90°C
• PSA: 0.00000
• Density: 0.9g/cm³
• LogP: 3.91790
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 172.1018782
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCCl)C)C

Technology Process of 1-Chloro-3,7-dimethyl-octa-2,6-diene

There total 27 articles about 1-Chloro-3,7-dimethyl-octa-2,6-diene 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%

3,3-dichloro-1,2-diphenylcyclopropene (2570-00-5) + geraniol (624-15-7) → geranyl chloride (4490-10-2) + diphenylcyclopropenone (886-38-4)

Guidance literature:

In dichloromethane; at 23 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.1021/ja906520p

Reference yield: 92.0%

7-methyl-3-methene-1,6-octadiene (123-35-3) → geranyl chloride (4490-10-2)

Guidance literature:

With hydrogenchloride; copper(l) chloride; In dichloromethane; at 0 ℃;

DOI:10.1016/S0040-4039(00)00381-6

Reference yield: 85.0%

geraniol (624-15-7) → geranyl chloride (4490-10-2)

Guidance literature:

With tetrachloromethane; triphenylphosphine; for 8h; Reflux;

DOI:10.1039/c5ob00594a

upstream raw materials:

7-methyl-3-methene-1,6-octadiene

(S)-(+)-linalool

3,7-dimethylocta-1,6-dien-3-ol

Geraniol

Downstream raw materials:

3,7-dimethyl-(2E)-2,6-octadienyl ethyl ether

3,7-dimethylocta-1,6-dien-3-ol

linalool acetate

(E)-((3,7-dimethylocta-2,6-dien-1-yl)oxy)benzene

Refernces

• 1、 Hilt, Gerhard,Huy, Peter H.,Kohlmeyer, Corinna,Sch?fer, André. "Formamide-Catalyzed Nucleophilic Substitutions: Mechanistic Insight and Rationalization of Catalytic Activity". . p. 11567 - 11577. Retrieved 2020/11/17.
• 2、 Xu, Lijun,Liu, Zhubo,Dong, Weipeng,Song, Jinyu,Miao, Maozhong,Xu, Jianfeng,Ren, Hongjun. "Copper-free arylation of 3,3-disubstituted allylic halides with triazene-softened aryl Grignard reagents". supporting information. p. 6333 - 6337. Retrieved 2015/06/08.