5-Methylhexanoyl chloride

Base Information

• Chemical Name: 5-Methylhexanoyl chloride
• CAS No.: 5699-78-5
• Molecular Formula: C7H13ClO
• Molecular Weight: 148.633
• DSSTox Substance ID: DTXSID70546147
• Wikidata: Q82423883
• Mol file: 5699-78-5.mol

Synonyms:5-METHYLHEXANOYL CHLORIDE;5699-78-5;5-methyl-hexanoyl chloride;5-methylhexanoic acid chloride;Isoamylacetylchlorid;SCHEMBL1410363;DTXSID70546147;HLDHFOCXVJJMBT-UHFFFAOYSA-N;AKOS006280244;G29633;EN300-7605715

Chemical Property of 5-Methylhexanoyl chloride

Chemical Property:

• PSA: 17.07000
• LogP: 2.57810
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 148.0654927
• Heavy Atom Count: 9
• Complexity: 88.9

Purity/Quality:

99% ^*data from raw suppliers

5-METHYLHEXANOYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(=O)Cl

Technology Process of 5-Methylhexanoyl chloride

There total 3 articles about 5-Methylhexanoyl chloride 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:

5-methylhexanoic acid (628-46-6) → 5-methylhexanoyl chloride (5699-78-5)

Guidance literature:

With phosphorus trichloride;

Reference yield:

oxalyl dichloride (79-37-8) + 5-methylhexanoic acid (628-46-6) → 5-methylhexanoyl chloride (5699-78-5)

Guidance literature:

In dichloromethane;

Reference yield:

→ 5-methylhexanoyl chloride (5699-78-5)

Guidance literature:

upstream raw materials:

5-methylhexanoic acid

oxalyl dichloride

Downstream raw materials:

3β-(5-methyl-hexanoyloxy)-cholest-5-ene

7-methyl-3-octanone

6-methylheptan-2-one

5-methylhexanamide