ChemicalBook--->CAS DataBase List--->399-30-4

399-30-4

399-30-4 Structure

399-30-4 Structure
IdentificationBack Directory
[Name]

(2-FLUOROBENZYL)METHYLAMINE
[CAS]

399-30-4
[Synonyms]

(2-FLUOROBENZYL)METH
(2-FLUOROBENZYL)METHYLAMINE
2-FLUORO-N-METHYLBENZYLAMINE
N-Methyl-o-fluorobenzylamine
(2-fluorobenZzyl)methylamine
N-Methyl-2-fluorobenzylaMine
(2-Fluorobenzyl)Methyla E 95%
(2-Fluorobenzyl)methylamine95%
(2-FLUOROBENZYL)METHYLAMINE 95%
1-(2-FLUOROPHENYL)-N-METHYLMETHANAMINE
Benzenemethanamine, 2-fluoro-N-methyl-
[Molecular Formula]

C8H10FN
[MDL Number]

MFCD04629633
[MOL File]

399-30-4.mol
[Molecular Weight]

139.17
Chemical PropertiesBack Directory
[Melting point ]

139-140 °C
[Boiling point ]

73 °C12 mm Hg(lit.)
[density ]

1.047 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.5010(lit.)
[Fp ]

155 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

Liquid
[pka]

9.05±0.10(Predicted)
[color ]

Colorless to tan
[Water Solubility ]

Slightly soluble in water.
[Sensitive ]

Air Sensitive
[InChI]

1S/C8H10FN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
[InChIKey]

AHIHZCXUWGORQO-UHFFFAOYSA-N
[SMILES]

CNCc1ccccc1F
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/38
[Safety Statements ]

26-36/37
[WGK Germany ]

3
[HS Code ]

2921490090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 3
Eye Irrit. 2
Skin Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrogen bromide-->Methylamine-->Phosphorus tribromide-->2-Fluorobenzyl alcohol-->Methanesulfonamide, 1,1,1-trifluoro-N-[(2-fluorophenyl)methyl]-N-methyl--->Lithium Aluminum Hydride-->Tetrahydrofuran
Hazard InformationBack Directory
[Uses]

Reactant for:
  • Preparation of biologically and pharmacologically active molecules
[Uses]

It is used as a pharmaceutical intermediate.
[Synthesis]

Methanesulfonamide, 1,1,1-trifluoro-N-[(2-fluorophenyl)methyl]-N-methyl-

1159505-77-7

(2-FLUOROBENZYL)METHYLAMINE

399-30-4

Example 4 Synthesis of N-methyl-2-fluorobenzylamine: to a stirred solution of compound 16 (135.6 mg, 0.5 mmol, 1.0 eq.) in anhydrous THF (5 mL) was slowly added LiAlH4 (38 mg, 1.0 mmol, 2.0 eq.) at 0 °C. The reaction mixture was heated to reflux and stirred for 10 hours. Upon completion of the reaction, it was cooled to room temperature and the reaction was carefully quenched with water and subsequently extracted with ether (10 mL x 3). The target product N-methyl-2-fluorobenzylamine was isolated and purified by acid/base extraction using 2N HCl and 2N NaOH. Finally, the solvent was evaporated under reduced pressure (15 torr) to give the colorless oily product N-methyl-2-fluorobenzylamine (60 mg, 86% yield).

[References]

[1] Journal of the American Chemical Society,
[2] Journal of the American Chemical Society, 2009, vol. 131, p. 7520 - 7521
[3] Patent: US2012/59179, 2012, A1. Location in patent: Page/Page column 17
Spectrum DetailBack Directory
[Spectrum Detail]

(2-FLUOROBENZYL)METHYLAMINE(399-30-4)1HNMR
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