N-methyl-1-(4-nitrophenyl)methanamine hydrochloride

Base Information

• Chemical Name: N-methyl-1-(4-nitrophenyl)methanamine hydrochloride
• CAS No.: 19499-60-6
• Molecular Formula: C8H10N2O2^.HCl
• Molecular Weight: 166.18
• Hs Code.: 2921499090
• European Community (EC) Number: 835-192-2
• DSSTox Substance ID: DTXSID00383284
• Mol file: 19499-60-6.mol

Synonyms:19499-60-6;N-methyl-1-(4-nitrophenyl)methanamine hydrochloride;N-METHYL-N-(4-NITROBENZYL)AMINE hydrochloride;N-Methyl-4-nitrobenzylamine hydrochloride;6315-57-7;N-METHYL-N-(4-NITROBENZYL)AMINE HCL;N-methyl-1-(4-nitrophenyl)methanamine;hydrochloride;methyl[(4-nitrophenyl)methyl]amine;4-Nitro-N-methylbenzylamine;methyl[(4-nitrophenyl)methyl]amine hydrochloride;SCHEMBL2955466;DTXSID00383284;MFCD06407995;AKOS015890529;N-Methyl-n-(4-nitrobenzyl)amine, HCl;SB78559;AS-40529;CS-0136820;FT-0637863;EN300-6494470;A813775;N-methyl-1-(4-nitrophenyl)methanaminehydrochloride;N-Methyl-1-(4-nitrophenyl)methanamine--hydrogen chloride (1/1);N-Methyl-4-nitrobenzylamine

Chemical Property of N-methyl-1-(4-nitrophenyl)methanamine hydrochloride

Chemical Property:

• Vapor Pressure: 0.00459mmHg at 25°C
• Melting Point: 218 °C
• Boiling Point: 277.2 °C at 760 mmHg
• PKA: 8.86±0.10(Predicted)
• Flash Point: 121.5 °C
• PSA: 57.85000
• Density: 1.162±0.06 g/cm3(Predicted)
• LogP: 3.03030
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.0509053
• Heavy Atom Count: 13
• Complexity: 148

Purity/Quality:

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

N-Methyl-4-nitrobenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CNCC1=CC=C(C=C1)[N+](=O)[O-].Cl

Technology Process of N-methyl-1-(4-nitrophenyl)methanamine hydrochloride

There total 16 articles about N-methyl-1-(4-nitrophenyl)methanamine hydrochloride 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%

N-methyl-4-nitrobenzylideneamine (877-80-5) → N-methyl-4-nitrobenzylamine (19499-60-6)

Guidance literature:

With sodium tetrahydroborate; boric acid; for 0.5h;

DOI:10.1055/s-2004-829066

Reference yield: 94.0%

4-nitrobenzaldehdye (555-16-8) + methylamine (74-89-5) → N-methyl-4-nitrobenzylamine (19499-60-6)

Guidance literature:

4-nitrobenzaldehdye; methylamine; In methanol; water; at 0 ℃; for 0.25h;

With sodium tetrahydroborate; In methanol; water; at 20 ℃; for 2h;

Reference yield: 56.0%

methylamine hydrochloride (593-51-1) + 1-bromomethyl-4-nitro-benzene (100-11-8) → N-methyl-4-nitrobenzylamine (19499-60-6)

Guidance literature:

With potassium hydroxide; In benzene; Ambient temperature;

DOI:10.1006/bioo.1994.1019

upstream raw materials:

4-nitrobenzyl chloride

methylamine

benzyl-methyl-amine

methylamine hydrochloride

Downstream raw materials:

N-(p-nitrobenzylidene)methylamine N-oxide

4-nitrobenzonitrile

4-((methylamino)methyl)aniline

{4-[(tert-butoxycarbonylmethylamino)methyl]phenyl}carbamic acid phenyl ester

Refernces

• 1、 Chen, I-Chung,Chen, Mei-Chuan,Hsieh, Chien-Ming,Hsu, Kai-Cheng,Lai, Row-Wen,Lin, Tony Eight,Liou, Jing-Ping,Nepali, Kunal,Ojha, Ritu,Pan, Shiow-Lin. "Installation of Pargyline, a LSD1 Inhibitor, in the HDAC Inhibitory Template Culminated in the Identification of a Tractable Antiprostate Cancer Agent". . p. 17824 - 17845. Retrieved 2022/01/03.
• 2、 -. "A process for preparing 4 - amino - N - alkyl benzyl amine method". . . Retrieved 2017/08/26.