N-4-Nitrobenzyl-N-n-propylamine

Base Information

• Chemical Name: N-4-Nitrobenzyl-N-n-propylamine
• CAS No.: 62869-74-3
• Molecular Formula: C10H14 N2 O2
• Molecular Weight: 194.233
• DSSTox Substance ID: DTXSID70978601
• Nikkaji Number: J331.133C
• Wikidata: Q27094505
• Mol file: 62869-74-3.mol

Synonyms:N-4-nitrobenzyl-N-n-propylamine

Chemical Property of N-4-Nitrobenzyl-N-n-propylamine

Chemical Property:

• Vapor Pressure: 0.000739mmHg at 25°C
• Melting Point: 227-230°C
• Boiling Point: 307.1°Cat760mmHg
• Flash Point: 139.5°C
• PSA: 57.85000
• Density: 1.104g/cm³
• LogP: 3.00850
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.105527694
• Heavy Atom Count: 14
• Complexity: 172

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNCC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of N-4-Nitrobenzyl-N-n-propylamine

There total 5 articles about N-4-Nitrobenzyl-N-n-propylamine 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%

N-n-propyl-4-nitrobenzamide (2585-24-2) → [(4-nitrophenyl)methyl](propyl)amine (62869-74-3)

Guidance literature:

With 1,1,3,3-Tetramethyldisiloxane; zinc trifluoromethanesulfonate; In toluene; at 100 ℃; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201101143

Reference yield: 80.0%

propylamine (107-10-8,42939-71-9) + 4-nitrobenzyl chloride (100-14-1) → [(4-nitrophenyl)methyl](propyl)amine (62869-74-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1021/ja045342+

Reference yield: 80.0%

propylamine (107-10-8,42939-71-9) + 1-bromomethyl-4-nitro-benzene (100-11-8) → [(4-nitrophenyl)methyl](propyl)amine (62869-74-3)

Guidance literature:

With triethylamine; In diethyl ether; at 20 ℃; for 10h;

DOI:10.1016/j.bmc.2010.04.078

upstream raw materials:

propylamine

4-nitrobenzyl chloride

1-bromomethyl-4-nitro-benzene

N-n-propyl-4-nitrobenzamide

Downstream raw materials:

3-(4-fluorophenyl)-N-(4-nitrobenzyl)-N-propylpropionamide

4-nitrobenzoic acid methyl ester

C₁₁H₁₃ClN₂O₃

Refernces

• 1、 Das, Shoubhik,Li, Yuehui,Lu, Liang-Qiu,Junge, Kathrin,Beller, Matthias. "A General and Selective Rhodium-Catalyzed Reduction of Amides, N-Acyl Amino Esters, and Dipeptides Using Phenylsilane". supporting information. p. 7050 - 7053. Retrieved 2016/05/19.
• 2、 Hajipour, Abdol R.,Fontanilla, Dominique,Chu, Uyen B.,Arbabian, Marty,Ruoho, Arnold E.. "Synthesis and characterization of N,N-dialkyl and N-alkyl-N-aralkyl fenpropimorph-derived compounds as high affinity ligands for sigma receptors". experimental part. p. 4397 - 4404. Retrieved 2010/09/12.