3,4-Difluorobenzylamine

Base Information

• Chemical Name: 3,4-Difluorobenzylamine
• CAS No.: 72235-53-1
• Molecular Formula: C7H7F2N
• Molecular Weight: 143.136
• Hs Code.: 29214990
• European Community (EC) Number: 276-503-6
• DSSTox Substance ID: DTXSID00222548
• Nikkaji Number: J299.059H
• Wikidata: Q72462649
• Mol file: 72235-53-1.mol

Synonyms:3,4-Difluorobenzylamine;72235-53-1;(3,4-Difluorophenyl)methanamine;3,4-difluorobenzyl amine;Benzenemethanamine, 3,4-difluoro-;EINECS 276-503-6;MFCD00010145;1-(3,4-DIFLUOROPHENYL)METHANAMINE;3, 4-difluorobenzylamine;3,4-difluoro-benzylamine;3,4-difluorobenzyl-amine;(3,4-Difluorobenzyl)amine;SCHEMBL110823;3,4-Difluorobenzylamine, 98%;PHLZUDXEBCQHKM-UHFFFAOYSA-;DTXSID00222548;[(3,4-difluorophenyl)methyl]amine;(3,4-Difluorophenyl)methanamine #;CK2423;STL480836;AKOS000130870;AC-7423;PS-8994;SB75403;AM20041079;CS-0127972;D3373;FT-0614287;EN300-35232;A22200;W-104493;Z239626576;3,4-Difluorobenzenemethanamine

Chemical Property of 3,4-Difluorobenzylamine

Chemical Property:

• Appearance/Colour: Clear light yellow liquid
• Vapor Pressure: 0.756mmHg at 25°C
• Melting Point: 31oC
• Refractive Index: n20/D 1.493(lit.)
• Boiling Point: 183.8 °C at 760 mmHg
• PKA: 8.75±0.10(Predicted)
• Flash Point: 79.4 °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

3,4-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

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CN)F)F
• Uses: 3,4-Difluorobenzylamine has been used in the preparation of 2-[(5-chloro-2-methoxyphenyl)sulfonyl(2-fluoroallyl)amino]-N-(3,4-difluorobenzyl)-4-pentenamide.

Technology Process of 3,4-Difluorobenzylamine

There total 6 articles about 3,4-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: 42.0%

(3,4-difluorophenyl)methanol (85118-05-4) → 3,4-difluorobenzylamine (72235-53-1)

Guidance literature:

With potassium tert-butylate; ammonia; In toluene; at 150 ℃; for 24h; under 3750.38 - 5250.53 Torr;

DOI:10.1039/d1sc05913k

Reference yield:

3,4-Difluorobenzonitrile (64248-62-0) → 3,4-difluorobenzylamine (72235-53-1)

Guidance literature:

3,4-Difluorobenzonitrile; With cerium(III) chloride; methyllithium; lithium bromide; In tetrahydrofuran; diethyl ether; at -25 ℃; for 1h; Inert atmosphere;

With ammonium hydroxide; In tetrahydrofuran; diethyl ether; water; at 20 ℃;

With hydrogenchloride; In tetrahydrofuran; 1,4-dioxane; diethyl ether;

Reference yield:

3,4-Difluorobenzonitrile (64248-62-0) → bis(3,4-difluorobenzyl)amine + 3,4-difluorobenzylamine (72235-53-1)

Guidance literature:

With borane-ammonia complex; In methanol; water; at 40 ℃; for 3h; Overall yield = 99 percentChromat.; Sealed tube;

DOI:10.1002/cplu.202000028

upstream raw materials:

3,4-Difluorobenzonitrile

benzylamine

N-butylamine

(3,4-difluorophenyl)methanol

Downstream raw materials:

tert-butyl-4-{2-[(3,4-difluorobenzyl)amino]-2-oxoethyl}piperidine-1-carboxylate

1-(3',4'-difluorobenzyl)-5-nitrouracil

4-{[(3,4-difluorophenyl)methyl]amino}-3-nitro-N-[(1R)-1-phenylpropyl]benzamide

(S)-tert-butyl 3-((6-(2-chloro-4-methylphenyl)-2-(3,4-difluorobenzylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl)piperidine-1-carboxylate

Refernces

• 1、 Ai, Yongjian,Guo, Rongxiu,He, GuangQi,Hu, Ze-nan,Liang, Qionglin,Liu, Lei,Niu, Dun,Sun, Hong-bin,Tian, Haimeng,Zhang, Xinyue. "Selective Synthesis of Symmetrical Secondary Amines from Nitriles with a Pt?CuFe/Fe3O4 Catalyst and Ammonia Borane as Hydrogen Donor". . p. 1783 - 1788. Retrieved 2020/09/02.
• 2、 Ye, Hebo,Hai, Yu,Ren, Yulong,You, Lei. "Versatile Dynamic Covalent Assemblies for Probing π-Stacking and Chirality Induction from Homotopic Faces". supporting information. p. 3804 - 3809. Retrieved 2017/03/27.