Cas no 821-57-8 (Heptanoic acid,7-chloro-)

Heptanoic acid,7-chloro- structure
Heptanoic acid,7-chloro- structure
Product Name:Heptanoic acid,7-chloro-
CAS No:821-57-8
MF:C7H13ClO2
MW:164.629921674728
CID:729246
PubChem ID:13188
Update Time:2024-10-27

Heptanoic acid,7-chloro- Chemical and Physical Properties

Names and Identifiers

    • Heptanoic acid,7-chloro-
    • 7-CHLOROHEPTANOIC ACID
    • 7-Chlor-heptansaeure
    • 7-chloro-enanthic acid
    • 7-chloro-heptanoic acid
    • Chlorenanthic acid
    • Enantic acid,7-chloro
    • Heptanoic acid,7-chloro
    • 7-Chloroheptanoic acid (ACI)
    • ω-Chloroheptanoic acid
    • 821-57-8
    • AKOS006239041
    • SCHEMBL4529391
    • DB-307344
    • DTXSID50231564
    • 4-02-00-00966 (Beilstein Handbook Reference)
    • BRN 1752111
    • DTXCID80154055
    • 7-CHLOROHEPTANOICACID
    • Enantic acid, 7-chloro-
    • HEPTANOIC ACID, 7-CHLORO-
    • Inchi： 1S/C7H13ClO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)
    • InChI Key： IGNBKLCFKTYIRI-UHFFFAOYSA-N
    • SMILES： O=C(CCCCCCCl)O

Computed Properties

  • Exact Mass: 164.06000
  • Monoisotopic Mass: 164.06
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 6
  • Complexity: 93.6
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 37.3A^2

Experimental Properties

  • Density: 1.096
  • Boiling Point: 269.8°C at 760 mmHg
  • Flash Point: 117°C
  • Refractive Index: 1.457
  • PSA: 37.30000
  • LogP: 2.26030

Heptanoic acid,7-chloro- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Water Solvents: Water
Reference
Simple synthesis of methyl 7-oxoheptanoate and 9-oxononanoate
Zakharkin, L. I.; et al, Izvestiya Akademii Nauk SSSR, 1984, (12), 2809-10

Production Method 2

Reaction Conditions
Reference
7-Chloroheptanoic acid
, USSR, , ,

Production Method 3

Reaction Conditions
Reference
Microbial production of ω-halocarboxylic acid
, Japan, , ,

Production Method 4

Reaction Conditions
Reference
7-Chloroheptanoic acid
, USSR, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Hydrogen peroxide Solvents: Methanol ,  Water
1.2 Reagents: Cupric chloride ,  Sodium chloride Solvents: Water
Reference
New approach to the synthesis of cilastatin, the inhibitor of renal dipeptidase
Vinogradov, M. G.; et al, Izvestiya Akademii Nauk, 1995, (1), 171-5

Production Method 6

Reaction Conditions
1.1 Reagents: Sulfuric acid
Reference
Specific and selective site reactions of alkanoate derivatives. 2. Isomerization and lactonization of chloroalkanoic acids in strong acid media
Konen, Dolores A.; et al, Journal of Organic Chemistry, 1982, 47(14), 2779-82

Production Method 7

Reaction Conditions
Reference
7-Chloroheptanoic acid
, USSR, , ,

Production Method 8

Reaction Conditions
1.1 Reagents: Lead tetraacetate ,  Ammonium chloride ;  96 h, 20 °C
Reference
Solid-state chlorodecarboxylation of mono- and dicarboxylic acids with the Pb(OAc)4-MCl system
Nikishin, G. I.; et al, Russian Chemical Bulletin, 2004, 53(10), 2200-2204

Production Method 9

Reaction Conditions
1.1 Reagents: Lead tetraacetate ,  Ammonium chloride ;  96 h, rt
Reference
Solid-phase reactions of alkanedicarboxylic acids with the Pb(OAc)4-NH4Cl system
Nikishin, Gennady I.; et al, Mendeleev Communications, 2003, (6), 264-265

Heptanoic acid,7-chloro- Raw materials

Heptanoic acid,7-chloro- Preparation Products

Heptanoic acid,7-chloro- Related Literature

821-57-8 (Heptanoic acid,7-chloro-) Related Products

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