6-Methyl-5-heptenoic acid

Base Information

• Chemical Name: 6-Methyl-5-heptenoic acid
• CAS No.: 24286-45-1
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.198
• DSSTox Substance ID: DTXSID20415233
• Metabolomics Workbench ID: 194
• Mol file: 24286-45-1.mol

Synonyms:6-methylhept-5-enoic acid;6-methyl-5-heptenoic acid;24286-45-1;5-Heptenoic acid, 6-methyl-;LMFA01020124;SCHEMBL10594848;DTXSID20415233;CHEBI:180320;MFCD19228147;AKOS006381622;SY253607

Chemical Property of 6-Methyl-5-heptenoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.20750
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 132

Purity/Quality:

6-Methyl-5-heptenoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCCCC(=O)O)C

Technology Process of 6-Methyl-5-heptenoic acid

There total 15 articles about 6-Methyl-5-heptenoic acid 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: 96.0%

2-carboxy-6-methyl-5-heptenoic acid (220791-59-3) → 6-methyl-5-heptenoic acid (24286-45-1)

Guidance literature:

With pyridine; water; for 5h; Heating;

DOI:10.1246/bcsj.72.73

Reference yield: 83.6%

6-methyl-5-hepten-1-ol (13175-35-4) → 6-methyl-5-heptenoic acid (24286-45-1)

Guidance literature:

With dipyridinium dichromate; In N,N-dimethyl-formamide; for 4h; Ambient temperature;

DOI:10.3987/R-1987-09-2461

Reference yield:

2,2-Dimethyl-3-ketocyclohexyl-p-toluolsulfonat (68823-30-3) → 6-methyl-5-heptenoic acid (24286-45-1)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane;

DOI:10.1021/ja00742a020

upstream raw materials:

diethyl 2-(4-methylpent-3-en-1-yl)malonate

3-bromo-7,7-dimethyl-oxepan-2-one

Cyano-2-hydroxy-6-methyl-6-heptancarbonsaeureethylester

6-methylhept-5-enenitrile

Downstream raw materials:

2-isopropylidenecyclopentan-1-one

1-Isopropyl-cyclopenten(1)-on-(5)

1-<2,3-dimethoxy-6-(methoxymethoxy)phenyl>-6-methyl-5-hepten-1-ol

1-(2-methoxymethoxy-3,6-dimethylphenyl)-6-methyl-5-hepten-1-ol