6E-Heneicosen-11-one

Base Information

• Chemical Name: 6E-Heneicosen-11-one
• CAS No.: 54844-66-5
• Molecular Formula: C21H40O
• Molecular Weight: 308.548
• Metabolomics Workbench ID: 5578
• Mol file: 54844-66-5.mol

Synonyms:6E-Heneicosen-11-one;6-Heneicosen-11-one, (E)-;54844-66-5;SCHEMBL592120;SCHEMBL4453775;LMFA12000211

Chemical Property of 6E-Heneicosen-11-one

Chemical Property:

• Vapor Pressure: 1.12E-06mmHg at 25°C
• Boiling Point: 402.2°C at 760 mmHg
• Flash Point: 152.3°C
• Density: 0.843g/cm³
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 17
• Exact Mass: 308.307915895
• Heavy Atom Count: 22
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(=O)CCCC=CCCCCC
• Isomeric SMILES: CCCCCCCCCCC(=O)CCC/C=C/CCCCC

Technology Process of 6E-Heneicosen-11-one

There total 3 articles about 6E-Heneicosen-11-one 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:

CH3(CH2)4(CH)2(CH2)3CHOH(CH2)9CH3 (55481-97-5) → (Z)-6-heneicosen-11-one (54844-65-4) + (6E)-henicos-6-en-11-one (54844-66-5)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane;

DOI:10.1271/bbb.69.957

Reference yield:

hexylidenetriphenylphosphoran (16666-79-8,19493-12-0) + 5-oxo-pentadecanal (86648-94-4) → (Z)-6-heneicosen-11-one (54844-65-4) + (6E)-henicos-6-en-11-one (54844-66-5)

Guidance literature:

Yield given. Yields of byproduct given;

Reference yield:

→ (Z)-6-heneicosen-11-one (54844-65-4) + (6E)-henicos-6-en-11-one (54844-66-5)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 0.25h;

With triethylamine; In dichloromethane; Overall yield = 91 %; Overall yield = 0.17 g;

upstream raw materials:

hexylidenetriphenylphosphoran

5-oxo-pentadecanal

CH₃(CH₂)4(CH)2(CH₂)3CHOH(CH₂)9CH₃

Refernces

• 1、 Wakamura, Sadao,Arakaki, Norio,Yamamoto, Masanobu,Hiradate, Syuntaro,Yasui, Hiroe,Kinjo, Kunio,Yasuda, Tetsuya,Yamazawa, Hiroyuki,Ando, Tetsu. "Sex pheromone and related compounds in the Ishigaki and Okinawa strains of the tussock moth Orgyia postica (Walker) (Lepidoptera: Lymantriidae)". . p. 957 - 965. Retrieved 2008/02/03.