Methyl[(3-nitrophenyl)methyl]amine hydrochloride

Base Information

• Chemical Name: Methyl[(3-nitrophenyl)methyl]amine hydrochloride
• CAS No.: 90389-70-1
• Molecular Formula: C8H10N2O2
• Molecular Weight: 202.641
• ChEMBL ID: CHEMBL276842
• Mol file: 90389-70-1.mol

Synonyms:methyl[(3-nitrophenyl)methyl]amine hydrochloride;90389-70-1;N-methyl-1-(3-nitrophenyl)methanamine;hydrochloride;N-methyl-N-(3-nitrobenzyl)amine hydrochloride;Benzylamine, N-methyl-m-nitro-, hydrochloride;CHEMBL276842;SCHEMBL5622098;EN300-36141;methyl[(3-nitrophenyl)methyl]aminehydrochloride;Z367678590

Chemical Property of Methyl[(3-nitrophenyl)methyl]amine hydrochloride

Chemical Property:

• Boiling Point: 274.3°Cat760mmHg
• Flash Point: 119.7°C
• PSA: 57.85000
• Density: 1.162g/cm³
• LogP: -0.76770
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.0509053
• Heavy Atom Count: 13
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

methyl[(3-nitrophenyl)methyl]aminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl[(3-nitrophenyl)methyl]amine hydrochloride

There total 2 articles about Methyl[(3-nitrophenyl)methyl]amine 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:

methyl-(3-nitro-benzyl)-amine (19499-61-7) → methyl (3-nitrobenzyl)amine hydrochloride (90389-70-1)

Guidance literature:

With chloro-trimethyl-silane; In isopropyl alcohol; at 20 - 72 ℃; for 1h; under 760.051 Torr; Inert atmosphere;

DOI:10.1021/op050120x

Reference yield:

3-nitro-benzaldehyde (99-61-6) → methyl (3-nitrobenzyl)amine hydrochloride (90389-70-1)

Guidance literature:

Multi-step reaction with 3 steps

1: water; n-heptane / 2 h / 20 °C / Inert atmosphere

2: methanesulfonic acid; borane tert-butylamine / dichloromethane / 1 h / 5 - 15 °C / Inert atmosphere

3: chloro-trimethyl-silane / isopropyl alcohol / 1 h / 20 - 72 °C / 760.05 Torr / Inert atmosphere

With chloro-trimethyl-silane; methanesulfonic acid; borane tert-butylamine; In n-heptane; dichloromethane; water; isopropyl alcohol;

DOI:10.1021/op050120x

Reference yield: 100.0%

Ethyl 4-bromobutyrate (2969-81-5) + methyl (3-nitrobenzyl)amine hydrochloride (90389-70-1) → C14H20N2O4 (1093798-87-8)

Guidance literature:

With sodium carbonate; In N,N-dimethyl acetamide; at 70 ℃; for 16h;

upstream raw materials:

3-nitro-benzaldehyde

methyl-(3-nitro-benzyl)-amine

Downstream raw materials:

6,7-dimethoxy-3-(methylaminomethyl-3-nitrophenyl)benzothiadiazine-3-one-1,1-dioxide

C₁₄H₂₀N₂O₄

C₁₄H₂₂N₂O₂*ClH

C₂₃H₂₉N₇O₃

Refernces