2,4-Difluorobenzylamine

Base Information

• Chemical Name: 2,4-Difluorobenzylamine
• CAS No.: 72235-52-0
• Molecular Formula: C7H7F2N
• Molecular Weight: 143.136
• Hs Code.: 29214990
• European Community (EC) Number: 276-502-0
• UNII: 8B7TQJ9CFS
• DSSTox Substance ID: DTXSID40222547
• Nikkaji Number: J208.464C
• Wikidata: Q72462642
• Mol file: 72235-52-0.mol

Synonyms:2,4-Difluorobenzylamine;72235-52-0;(2,4-difluorophenyl)methanamine;2,4-difluorobenzyl amine;Benzenemethanamine, 2,4-difluoro-;EINECS 276-502-0;8B7TQJ9CFS;MFCD00010142;1-(2,4-difluorophenyl)methanamine;N-difluorobenzylamine;2,4-difluorbenzylamine;2.4-difluorobenzylamine;UNII-8B7TQJ9CFS;2,4-difluoro benzylamine;2,4-difluoro-benzylamine;SCHEMBL113852;2,4-difluorobenzenemethanamine;2,4-Difluorobenzylamine, 98%;DTXSID40222547;QDZZDVQGBKTLHV-UHFFFAOYSA-N;BCP12876;STK503663;AKOS000134081;AC-9768;AM62087;CS-W018261;PS-8995;D1996;FT-0610096;FT-0658722;EN300-35048;A22194;W-104494;F2190-0536;Z239626462;2,4-Difluoro-benzylamine;(2,4-Difluorophenyl)methanamine

Chemical Property of 2,4-Difluorobenzylamine

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 1.02mmHg at 25°C
• Melting Point: 255-256 °C(Solv: N,N-dimethylformamide (68-12-2))
• Refractive Index: n20/D 1.49(lit.)
• Boiling Point: 177.8 °C at 760 mmHg
• PKA: 8.58±0.10(Predicted)
• Flash Point: 68.3 °C
• PSA: 26.02000
• Density: 1.214 g/cm³
• LogP: 2.12380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air Sensitive
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 143.05465555
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99%, ^*data from raw suppliers

2,4-Difluorobenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45-25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)F)CN
• Uses: 2,4-Difluorobenzylamine has been used in the synthesis of βAla–Aib(N-fluoroarylmethyl)], nonpolar nucleobase dipeptide via Ugi four-component condensation reaction.

Technology Process of 2,4-Difluorobenzylamine

There total 14 articles about 2,4-Difluorobenzylamine 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: 90.8%

C13H17F2N4(1+)*Br(1-) → 2,4-Difluoro-benzylamine (72235-52-0)

Guidance literature:

With hydrogenchloride; In methanol; water; for 6h; Reflux;

Reference yield: 90.0%

2,4-difluorobenzonitrile (3939-09-1,103496-86-2) → 2,4-Difluoro-benzylamine (72235-52-0)

Guidance literature:

With ammonium hydroxide; hydrogen; In water; isopropyl alcohol; at 60 - 80 ℃; under 7500.75 Torr; Temperature; Reagent/catalyst;

Reference yield:

2,4-difluorobenzoyl chloride (72482-64-5) → 2,4-Difluoro-benzylamine (72235-52-0)

Guidance literature:

With sodium tetrahydroborate; benzamide; In tetrahydrofuran; at 0 - 20 ℃;

upstream raw materials:

2,4-difluorobenzonitrile

1,3-Difluorobenzene

2,4-difluorobenzyl chloride

2-(2,4-difluorophenyl)ethanol

Downstream raw materials:

N-(2,4-difluorobenzyl)octanamide

N-(2,4-difluorobenzyl)nonanamide

1-[(2,4-Difluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole

N-(2,4-Difluorobenzyl)-N'-{4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl}urea

Refernces

• 1、 -. "Hydrogen Bond Directed Photocatalytic Hydrodefluorination and Methods of Use Thereof". . . Retrieved 2021/01/22.
• 2、 -. "2. 4 - difluorobenzene methylamine synthetic method". Paragraph 0069-0071. . Retrieved 2017/10/22.