2-Fluorobenzylamine

Base Information

• Chemical Name: 2-Fluorobenzylamine
• CAS No.: 89-99-6
• Molecular Formula: C7H8FN
• Molecular Weight: 125.146
• Hs Code.: 29214990
• European Community (EC) Number: 201-957-9
• NSC Number: 158270
• DSSTox Substance ID: DTXSID8059003
• Nikkaji Number: J10H
• Wikidata: Q72479280
• ChEMBL ID: CHEMBL12892
• Mol file: 89-99-6.mol

Synonyms:2-Fluorobenzylamine;89-99-6;(2-Fluorophenyl)methanamine;Benzenemethanamine, 2-fluoro-;o-Fluorobenzylamine;2-fluorobenzyl amine;Benzylamine, o-fluoro-;1-(2-fluorophenyl)methanamine;2-Fluoro-benzylamine;2-fluoro-benzyl amine;EINECS 201-957-9;NSC 158270;o-fluorobenzyl amine;MFCD00008107;2-fluorbenzylamin;NSC158270;ortho-Fluorobenzylamine;(2-fluorobenzyl)amine;2-fluoro-benzenemethanamine;2-Fluorobenzylamine, 96%;SCHEMBL6621;CHEMBL12892;(2-Fluorophenyl)methanamine #;DTXSID8059003;STK503675;AKOS000120576;AC-9769;CS-W004092;NSC-158270;SS-3747;AM20041340;F0538;FT-0612424;EN300-16213;A22208;W-100350;2-fluoroBenzenemethanamine;F2190-0539

Chemical Property of 2-Fluorobenzylamine

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 7.84E-05mmHg at 25°C
• Melting Point: 245-246 °C(Solv: N,N-dimethylformamide (68-12-2))
• Refractive Index: n20/D 1.517(lit.)
• Boiling Point: 185.9 °C at 760 mmHg
• PKA: 8?+-.0.10(Predicted)
• Flash Point: 67.2 °C
• PSA: 26.02000
• Density: 1.101 g/cm³
• LogP: 1.98470
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air Sensitive
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 125.064077422
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99% ^*data from raw suppliers

2-Fluorobenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi, T
• Hazard Codes: C,Xi,T
• Statements: 34-20/21/22
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CN)F
• Uses: 2-Fluorobenzylamine was used in synthesis of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine, having anticonvulsant activity. It was also used in synthesis and study of structure-activity relationship of a series of substituted spirohydantoins.

Technology Process of 2-Fluorobenzylamine

There total 9 articles about 2-Fluorobenzylamine 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: 99.0%

2-Fluorobenzaldehyde (446-52-6) → 2-fluorobenzylamine (89-99-6)

Guidance literature:

With Candida boidinii formate dehydrogenase; Geobacillus stearothermophilus ε‐deaminating L‐lysine dehydrogenase variant 22; nicotinamide adenine dinucleotide; In aq. buffer; at 30 ℃; for 24h; pH=8.5; Reagent/catalyst; Enzymatic reaction;

DOI:10.1002/chem.202003140

Reference yield: 99.0%

2-fluorobenzonitrile (394-47-8) → 2-fluorobenzylamine (89-99-6)

Guidance literature:

With C₁₉H₃₄Cl₂CoN₂P; hydrogen; sodium ethanolate; sodium triethylborohydride; In benzene; at 135 ℃; for 36h; under 22502.3 Torr; Autoclave;

DOI:10.1021/jacs.5b04879

Reference yield: 81.0%

2-fluorobenzyl azide (62284-30-4) → 2-fluorobenzylamine (89-99-6)

Guidance literature:

With boron tribromide; In dichloromethane; chloroform; at -5 - 40 ℃; for 24h; Inert atmosphere;

upstream raw materials:

o-fluorobenzyl bromide

2-fluorobenzonitrile

2-Fluorobenzaldehyde

2-Fluorotoluene

Downstream raw materials:

2-(2-Fluoro-benzylamino)-2-[(Z)-hydroxyimino]-N,N-dimethyl-acetamide

N-(2-Fluoro-benzyl)-guanidine

5-Amino-4-chloro-6-(2-fluorobenzylamino)pyrimidine

2-Amino-N-(2-fluoro-benzyl)-benzamide

Refernces

• 1、 Tseliou, Vasilis,Schilder, Don,Masman, Marcelo F.,Knaus, Tanja,Mutti, Francesco G.. "Generation of Oxidoreductases with Dual Alcohol Dehydrogenase and Amine Dehydrogenase Activity". supporting information. p. 3315 - 3325. Retrieved 2020/12/11.
• 2、 -. "PROCESS FOR PREPARATION OF HALOGENATED BENZYLAMINE AND INTERMEDIATES THEROF". Page/Page column 17. . Retrieved 2020/08/13.