4-Fluoro-N-methylbenzylamine

Base Information

• Chemical Name: 4-Fluoro-N-methylbenzylamine
• CAS No.: 405-66-3
• Molecular Formula: C8H10FN
• Molecular Weight: 139.173
• Hs Code.: 29214200
• European Community (EC) Number: 626-594-7
• DSSTox Substance ID: DTXSID20353121
• Nikkaji Number: J3.279.502A
• Wikidata: Q72474555
• Mol file: 405-66-3.mol

Synonyms:405-66-3;4-Fluoro-N-methylbenzylamine;N-Methyl-4-fluorobenzylamine;1-(4-fluorophenyl)-n-methylmethanamine;(4-fluoro-benzyl)-methyl-amine;N-(4-fluorobenzyl)-N-methylamine;[(4-fluorophenyl)methyl](methyl)amine;4-Fluoro-N-methyl benzylamine;Benzenemethanamine, 4-fluoro-N-methyl-;(4-fluorophenyl)-N-methylmethanamine;MFCD03839848;(4-fluorobenzyl)-methylamine;4-fluoro-N-methyl-benzylamine;SCHEMBL155051;4-Fluoro-N-methylbenzyl amine;(4-flouro-benzyl)-methyl-amine;(4-fluorobenzyl)-(methyl)-amine;DTXSID20353121;HMS1718P10;N-methyl-N-(4-fluorobenzyl)amine;4-Fluoro-N-methylbenzylamine, 97%;N-Methyl-4-fluorobenzenemethaneamine;N-(4-fluoro-benzyl)-N-methyl-amine;AKOS000117635;AC-2708;NCGC00374043-01;SY002630;TS-01808;A6782;AM20061052;CS-0172466;F0806;FT-0646196;EN300-07965;Z56963340

Chemical Property of 4-Fluoro-N-methylbenzylamine

Chemical Property:

• Vapor Pressure: 1.12mmHg at 25°C
• Refractive Index: n20/D 1.4990(lit.)
• Boiling Point: 175.9 °C at 760 mmHg
• PKA: 9.71±0.10(Predicted)
• Flash Point: 60.2 °C
• PSA: 12.03000
• Density: 1.029 g/cm³
• LogP: 1.93600
• Sensitive.: Air Sensitive
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 139.079727485
• Heavy Atom Count: 10
• Complexity: 87.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Fluoro-n-methylbenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41-43
• Safety Statements: 26-36/37/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNCC1=CC=C(C=C1)F
• Uses: 4-Fluoro-n-methylbenzylamine

Technology Process of 4-Fluoro-N-methylbenzylamine

There total 17 articles about 4-Fluoro-N-methylbenzylamine 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: 96.0%

p-fluorobenzylamine formamide (84174-25-4) → (4-Fluoro-benzyl)-methyl-amine (405-66-3)

Guidance literature:

p-fluorobenzylamine formamide; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 64h;

With sodium hydroxide; water;

Reference yield: 81.0%

methanol (67-56-1) + 4-fluorobenzyl azide (159979-96-1) → 4-fluoro-N,N-dimethylbenzylamine (702-11-4) + (4-Fluoro-benzyl)-methyl-amine (405-66-3)

Guidance literature:

With trans-RuCl(phenpyra-Me)(PPh₃)₂PF₆; sodium hydroxide; at 125 ℃; for 24h; Sealed tube; Inert atmosphere; Glovebox;

DOI:10.1039/c8gc00863a

Reference yield: 66.5%

methylamine (74-89-5) + 1-chloromethyl-4-fluorobenzene (352-11-4) → (4-Fluoro-benzyl)-methyl-amine (405-66-3)

Guidance literature:

In tetrahydrofuran; at 88 ℃; for 2h; under 6981.5 Torr;

DOI:10.1021/jm00134a003

upstream raw materials:

4-Fluorobenzyl bromide

methylamine

p-fluorobenzylamine formamide

1-chloromethyl-4-fluorobenzene

Downstream raw materials:

N-(4-Fluoro-benzyl)-N-methyl-2-(4-nitro-phenoxy)-acetamide

(S)-{[(4-fluorobenzyl)methylcarbamoyl]phenyl-methyl}carbamic acid tert-butyl ester

C₁₁H₁₇FN₂

3-[[(4-fluorobenzyl)-methyl-amino]methyl]-5-(pyridin-4-yl)-1,3,4-oxadiazol-2(3H)-one

Refernces

• 1、 Choi, Geunho,Hong, Soon Hyeok. "Selective Monomethylation of Amines with Methanol as the C1 Source". supporting information. p. 6166 - 6170. Retrieved 2018/04/30.
• 2、 Ren, Yan,Su, Yaning,Sun, Liming,He, Sudan,Meng, Lingjun,Liao, Daohong,Liu, Xiao,Ma, Yongfen,Liu, Chunyan,Li, Sisi,Ruan, Hanying,Lei, Xiaoguang,Wang, Xiaodong,Zhang, Zhiyuan. "Discovery of a Highly Potent, Selective, and Metabolically Stable Inhibitor of Receptor-Interacting Protein 1 (RIP1) for the Treatment of Systemic Inflammatory Response Syndrome". . p. 972 - 986. Retrieved 2017/02/19.