7-Formylheptanoic acid

Base Information

• Chemical Name: 7-Formylheptanoic acid
• CAS No.: 929-48-6
• Molecular Formula: C8H14 O3
• Molecular Weight: 158.197
• Hs Code.: 2918300090
• European Community (EC) Number: 213-199-6
• DSSTox Substance ID: DTXSID30239189
• Nikkaji Number: J298.506C
• Wikidata: Q83121543
• Metabolomics Workbench ID: 75017
• Mol file: 929-48-6.mol

Synonyms:8-Oxooctanoic acid;7-Formylheptanoic acid;929-48-6;8-oxo-octanoic acid;Octanoic acid, 8-oxo-;EINECS 213-199-6;8-Oxooctanoicacid;SCHEMBL274867;DTXSID30239189;LMFA01060212;MFCD20638239;AKOS037649293;BS-17862;D80547;EN300-7706761

Chemical Property of 7-Formylheptanoic acid

Chemical Property:

• Vapor Pressure: 0.000519mmHg at 25°C
• Boiling Point: 290.4°Cat760mmHg
• Flash Point: 143.7°C
• PSA: 54.37000
• Density: 1.037g/cm³
• LogP: 1.61050
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCC(=O)O)CCC=O
• Uses: 7-Formylheptanoic Acid, is a fatty acid with keto.

Technology Process of 7-Formylheptanoic acid

There total 19 articles about 7-Formylheptanoic 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: 100.0%

2,3,11-trioxybicyclo<6.2.1>undecane (38433-89-5) → 7-formylheptanoic acid (929-48-6)

Guidance literature:

at 50 ℃; for 192h;

DOI:10.1021/jo00263a023

Reference yield: 98.0%

7-Formyl-4Z-heptenoic acid (80685-82-1,55348-85-1) → 7-formylheptanoic acid (929-48-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid; at 20 ℃; for 15h; under 15200 Torr;

DOI:10.1007/BF00575161

Reference yield: 86.0%

8-hydroxycaprylic acid (764-89-6) → 7-formylheptanoic acid (929-48-6)

Guidance literature:

With 2-iodoxybenzoic acid; In dimethyl sulfoxide; for 4h; Inert atmosphere;

DOI:10.1080/00397911.2013.853800

upstream raw materials:

cis-Cyclooctene

cycloactanone

7-Formyl-4Z-heptenoic acid

2,3,11-trioxybicyclo<6.2.1>undecane

Downstream raw materials:

(E)-2-decenedioic acid

(E)-10-hydroxy-dec-2-enoic acid

methyl 8-oxooctanoate

Refernces

• 1、 Kowalski, John P.,Mcdonald, Matthew G.,Pelletier, Robert D.,Hanenberg, Helmut,Wiek, Constanze,Rettie, Allan E.. "Design and characterization of the first selective and potent mechanism-based inhibitor of cytochrome p450 4z1". . p. 4824 - 4836. Retrieved 2020/06/08.
• 2、 Fraaije, Marco W.,Martin, Caterina,Trajkovic, Milos. "Production of Hydroxy Acids: Selective Double Oxidation of Diols by Flavoprotein Alcohol Oxidase". supporting information. p. 4869 - 4872. Retrieved 2020/02/11.