Cas no 884504-18-1 ((4'-Fluoro[1,1'-biphenyl]-2-yl)methanamine)

(4'-Fluoro[1,1'-biphenyl]-2-yl)methanamine structure
884504-18-1 structure
Product Name:(4'-Fluoro[1,1'-biphenyl]-2-yl)methanamine
CAS No:884504-18-1
MF:C13H12FN
MW:201.239486694336
MDL:MFCD05864430
CID:93137
PubChem ID:3770185
Update Time:2024-10-26

(4'-Fluoro[1,1'-biphenyl]-2-yl)methanamine Chemical and Physical Properties

Names and Identifiers

    • (4'-Fluoro[1,1'-biphenyl]-2-yl)methanamine
    • 4'-Fluoro-2-biphenylmethylamine
    • (4'-fluoro-[1,1'-biphenyl]-2-yl)methanamine
    • (4'-fluorobiphenyl-2-yl)methanamine
    • [2-(4-fluorophenyl)phenyl]methanamine
    • 4'-FLUOROBIPHENYL-2-METHYLAMINE
    • 4-Fluorobiphenyl-2-MethylaMine
    • 4′-Fluoro[1,1′-biphenyl]-2-methanamine (ACI)
    • (4′-Fluoro[1,1′-biphenyl]-2-yl)methanamine
    • (4′-Fluorobiphenyl-2-yl)methanamine
    • 1-(4′-Fluorobiphenyl-2-yl)methanamine
    • 2-(Aminomethyl)-4'-fluorobiphenyl
    • 1-(4'-Fluoro[1,1'-biphenyl]-2-yl)methanamine
    • MFCD05864430
    • 1-(4'-fluorobiphenyl-2-yl)methanamine
    • 1-(4'-Fluorobiphenyl-2-yl)MethanaMine;4-(2-(aMinoMethyl)phenyl)-1-fluorobenzene
    • (4'-Fluorobiphenyl-2-yl)methanamine, AldrichCPR
    • 1-{4'-FLUORO-[1,1'-BIPHENYL]-2-YL}METHANAMINE
    • [1,1'-Biphenyl]-2-methanamine,4'-fluoro-
    • 884504-18-1
    • CS-0313834
    • DB-002137
    • Q-103433
    • AKOS002683456
    • 1-(4'-Fluorobiphenyl-2-yl)methylamine hydrochloride
    • DTXSID60396178
    • SCHEMBL3723618
    • SB77565
    • NCGC00373881-01
    • MDL： MFCD05864430
    • Inchi： 1S/C13H12FN/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15/h1-8H,9,15H2
    • InChI Key： MLXCERLVQPYBIA-UHFFFAOYSA-N
    • SMILES： FC1C=CC(C2C(CN)=CC=CC=2)=CC=1

Computed Properties

  • Exact Mass: 201.09500
  • Monoisotopic Mass: 201.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 187
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.5
  • Topological Polar Surface Area: 26A^2

Experimental Properties

  • Color/Form: White powder
  • Density: 1.124
  • Boiling Point: 334.6°C at 760 mmHg
  • Flash Point: 166.7°C
  • Refractive Index: 1.576
  • PSA: 26.02000
  • LogP: 3.65170
  • Sensitiveness: Air Sensitive
  • Solubility: Not determined

(4'-Fluoro[1,1'-biphenyl]-2-yl)methanamine Security Information

  • Hazard Category Code： 25
  • Safety Instruction： 45
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

(4'-Fluoro[1,1'-biphenyl]-2-yl)methanamine Pricemore >>

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(4'-Fluoro[1,1'-biphenyl]-2-yl)methanamine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Aluminum chloride ,  Lithium aluminum hydride Solvents: Tetrahydrofuran ;  rt; 20 min, rt; rt → 0 °C; 2 h, 0 °C
1.2 Reagents: Methanol ,  Water
Reference
Novel N-biphenyl-2-ylmethyl 2-methoxyphenylpiperazinylalkanamides as 5-HT7R antagonists for the treatment of depression
Kim, Youngjae; et al, Bioorganic & Medicinal Chemistry, 2014, 22(17), 4587-4596

Production Method 2

Reaction Conditions
1.1 Reagents: Cesium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: 1,2-Dimethoxyethane ,  Water ;  130 °C
1.2 Reagents: Hydrochloric acid Solvents: Ethyl acetate ,  Water
Reference
Isoindolinone compounds active as Kv1.5 blockers identified using a multicomponent reaction approach
Kajanus, Johan ; et al, Bioorganic & Medicinal Chemistry Letters, 2016, 26(8), 2023-2029

Production Method 3

Reaction Conditions
1.1 Reagents: Tripotassium phosphate Catalysts: Tris(dibenzylideneacetone)dipalladium ,  2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl Solvents: 1,2-Dimethoxyethane ,  Water ;  24 h, 80 °C
Reference
Synthesis of Phenanthridines through Iodine-Supported Intramolecular C-H Amination and Oxidation under Visible Light
Gao, Yan; et al, Journal of Organic Chemistry, 2020, 85(19), 12187-12198

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Dimethylformamide ;  6 h, reflux; reflux → rt
2.1 Reagents: Aluminum chloride ,  Lithium aluminum hydride Solvents: Tetrahydrofuran ;  rt; 20 min, rt; rt → 0 °C; 2 h, 0 °C
2.2 Reagents: Methanol ,  Water
Reference
Novel N-biphenyl-2-ylmethyl 2-methoxyphenylpiperazinylalkanamides as 5-HT7R antagonists for the treatment of depression
Kim, Youngjae; et al, Bioorganic & Medicinal Chemistry, 2014, 22(17), 4587-4596

(4'-Fluoro[1,1'-biphenyl]-2-yl)methanamine Raw materials

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