4-Nitrobenzylamine hydrochloride

Base Information

• Chemical Name: 4-Nitrobenzylamine hydrochloride
• CAS No.: 18600-42-5
• Molecular Formula: C7H8N2O2^.HCl
• Molecular Weight: 188.614
• Hs Code.: 29214990
• European Community (EC) Number: 242-441-3
• Mol file: 18600-42-5.mol

Synonyms:4-Nitrobenzylamine hydrochloride;18600-42-5;(4-nitrophenyl)methanamine Hydrochloride;4-Nitrobenzylamine HCl;Benzenemethanamine, monohydrochloride;p-Nitrobenzylamine hydrochloride;(4-nitrophenyl)methanamine;hydrochloride;MFCD00012863;(4-NITROPHENYL)METHANAMINE HCL;SCHEMBL726;4-nitrobenzylamine HCl salt;p-nitrobenzylaminehydrochloride;p-nitro-benzylaminehydrochloride;4-nitrobenzylamine-hydrochloride;p-nitro-benzylamine hydrochloride;4-nitro benzylamine hydrochloride;SMIXZZMSWYOQPW-UHFFFAOYSA-N;(4-nitrobenzyl)amine hydrochloride;AMY20752;AKOS008953604;(4-nitrophenyl)methanamineHydrochloride;4-Nitrobenzylamine hydrochloride, 97%;DS-9340;AC-29668;SY044992;CS-0043155;FT-0637719;N0435;EN300-50211;F31025;A812996;J-011938;Z1259155974

Chemical Property of 4-Nitrobenzylamine hydrochloride

Chemical Property:

• Appearance/Colour: light brown crystalline solid
• Vapor Pressure: 0.00135mmHg at 25°C
• Melting Point: ~265 °C (dec.)(lit.)
• Boiling Point: 297.5°C at 760 mmHg
• Flash Point: 133.7°C
• PSA: 71.84000
• LogP: 3.07900
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: methanol:glacial acetic acid (1:1): soluble25mg/mL, clear, color
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.0352552
• Heavy Atom Count: 12
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

4-Nitrobenzylamine Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi，T
• Hazard Codes: Xi,T
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN)[N+](=O)[O-].Cl
• Uses: 4-Nitrobenzylamine hydrochloride was used in chemical modification of graphite powder and multiwalled carbon nanotubes. It was also used in the preparation of 2-fluoro-6-(4-nitrohenzylamino)purine.

Technology Process of 4-Nitrobenzylamine hydrochloride

There total 12 articles about 4-Nitrobenzylamine 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: 90.0%

4-nitrobenzonitrile (619-72-7) → 4-nitrobenzylamine hydrochloride (18600-42-5)

Guidance literature:

4-nitrobenzonitrile; With C₄₆H₁₇₈O₄₁Si₄₂; titanium(IV)isopropoxide; In toluene; at 60 ℃; for 9h; Inert atmosphere;

With hydrogenchloride; water; In toluene; at 20 ℃; Reagent/catalyst; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2013.11.101

Reference yield: 83.0%

4-nitrobenzamide (619-80-7) → 4-nitrobenzylamine hydrochloride (18600-42-5)

Guidance literature:

4-nitrobenzamide; With [(aNHC)KN(SiMe₃)₂]₂; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In toluene; at 40 ℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique;

With water; sodium hydroxide; In diethyl ether; toluene; at 40 ℃; for 1h; Inert atmosphere; Glovebox; Schlenk technique;

With hydrogenchloride; In diethyl ether; water; Reagent/catalyst; chemoselective reaction; Inert atmosphere; Glovebox; Schlenk technique;

DOI:10.1039/c9sc05953a

Reference yield: 71.2%

4-nitrobenzaldehdye (555-16-8) → 4-nitrobenzylamine hydrochloride (18600-42-5)

Guidance literature:

4-nitrobenzaldehdye; With pyridoxal 5'-phosphate; ω-transaminase from Bacillus megaterium; isopropylamine; for 24h; Enzymatic reaction;

With hydrogenchloride; In diethyl ether; Reagent/catalyst;

DOI:10.1002/adsc.202100997

upstream raw materials:

N,N′-bis(4-nitrobenzyl)urea

4-nitrobenzyl chloride

4-nitrobenzamide

4-nitrobenzonitrile

Downstream raw materials:

tert-butyl 4-nitrobenzylcarbamate

4-Amino-5-cyano-6-ethoxy-pyridine-2-carboxylic acid 4-nitro-benzylamide

N-(4-nitrobenzyl)-N-(tetrahydropyran-4-yl)ethylamine

N-(1,3-dimethoxypropan-2-yl)-N-methyl-4-nitrobenzylamine

Refernces

• 1、 Bisai, Milan Kumar,Gour, Kritika,Das, Tamal,Vanka, Kumar,Sen, Sakya S.. "Lithium compound catalyzed deoxygenative hydroboration of primary, secondary and tertiary amides". . p. 2354 - 2358. Retrieved 2021/03/03.
• 2、 Chen, Lina,Ding, Yingying,Jiao, Qingcai,Liu, Junzhong,Yu, Jinhai,Zhang, Hongjuan,Zong, Weilu. "Fabrication of ω-Transaminase@Metal-Organic Framework Biocomposites for Efficiently Synthesizing Benzylamines and Pyridylmethylamines". . . Retrieved 2021/11/05.