Cas no 921602-77-9 (3,3-difluorocyclohexan-1-amine hydrochloride)

3,3-difluorocyclohexan-1-amine hydrochloride structure
921602-77-9 structure
Product Name:3,3-difluorocyclohexan-1-amine hydrochloride
CAS No:921602-77-9
MF:C6H12ClF2N
MW:171.61598777771
MDL:MFCD11878025
CID:1011971
PubChem ID:71711147
Update Time:2024-10-26

3,3-difluorocyclohexan-1-amine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3,3-Difluorocyclohexanamine hydrochloride
    • 3,3-difluorocyclohexanamine hcl
    • (3,3-Difluorocyclohexyl)amine hydrochloride
    • 3,3-difluorocyclohexan-1-amine hydrochloride
    • 3,3-Difluoro-cyclohexylamine hydrochloride
    • F8880-8807
    • Z1443588486
    • AKOS022172799
    • 921602-77-9
    • SY097122
    • SCHEMBL15129899
    • 3,3-Difluorocyclohexanaminehydrochloride
    • EN300-112279
    • DB-330863
    • AS-33274
    • 3,3-difluorocyclohexan-1-amine;hydrochloride
    • CS-W019231
    • SB23088
    • MFCD12755815
    • MB10651
    • MFCD11878025
    • MDL: MFCD11878025
    • Inchi: 1S/C6H11F2N.ClH/c7-6(8)3-1-2-5(9)4-6;/h5H,1-4,9H2;1H
    • InChI Key: CYAZLMHIPJPQQF-UHFFFAOYSA-N
    • SMILES: Cl.FC1(CC(N)CCC1)F

Computed Properties

  • Exact Mass: 171.0626334g/mol
  • Monoisotopic Mass: 171.0626334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 103
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26?2

3,3-difluorocyclohexan-1-amine hydrochloride Pricemore >>

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3,3-difluorocyclohexan-1-amine hydrochloride Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  overnight, rt
Reference
Preparation of heterocycles as isocitrate dehydrogenase 1 inhibitors, therapeutically active compositions and their methods of use
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Formic acid Catalysts: Palladium Solvents: Methanol ;  rt
1.2 Reagents: Hydrochloric acid Solvents: 1,4-Dioxane
Reference
Preparation of triazaspirodecenones as β-secretase inhibitors for the treatment of Alzheimer's disease.
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Sodium azide Solvents: Chloroform ,  Water ;  rt → 50 °C; 3 h, 50 °C; 3 h, 45 - 50 °C; 50 °C → rt; 48 h, rt; cooled
1.2 Reagents: Sodium hydroxide Solvents: Water ;  pH 12 - 13
1.3 Reagents: Hydrochloric acid Solvents: Water ;  acidified
Reference
Synthesis of gem-difluorocyclopentane/hexane building blocks
Melnykov, Kostiantyn P.; Nosik, Pavel S.; Kurpil, Bohdan B.; Sibgatulin, Dmitriy A.; Volochnyuk, Dmitriy M.; et al, Journal of Fluorine Chemistry, 2017, 199, 60-66

3,3-difluorocyclohexan-1-amine hydrochloride Raw materials

3,3-difluorocyclohexan-1-amine hydrochloride Preparation Products

3,3-difluorocyclohexan-1-amine hydrochloride Related Literature

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