N-Benzyl-N-propylamine

Base Information

• Chemical Name: N-Benzyl-N-propylamine
• CAS No.: 2032-33-9
• Molecular Formula: C10H15N
• Molecular Weight: 149.236
• Hs Code.: 2921499090
• European Community (EC) Number: 217-987-0
• UNII: MYT5Y030TC
• DSSTox Substance ID: DTXSID7062110
• Nikkaji Number: J298.648E
• Wikidata: Q72442869
• ChEMBL ID: CHEMBL1182830
• Mol file: 2032-33-9.mol

Synonyms:Benzylamine,N-propyl- (6CI,7CI,8CI);Benzylpropylamine;N-(Phenylmethyl)propylamine;N-Benzyl-1-propanamine;N-Benzylpropylamine;N-Propylbenzylamine;Propylbenzylamine;

Chemical Property of N-Benzyl-N-propylamine

Chemical Property:

• Vapor Pressure: 0.176mmHg at 25°C
• Boiling Point: 212.2 °C at 760 mmHg
• PKA: 9.77±0.19(Predicted)
• Flash Point: 83.6 °C
• PSA: 12.03000
• Density: 0.909 g/cm³
• LogP: 2.57710
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 84.9

Purity/Quality:

98%min ^*data from raw suppliers

N-Benzyl-n-propylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCNCC1=CC=CC=C1

Technology Process of N-Benzyl-N-propylamine

There total 47 articles about N-Benzyl-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: 100.0%

N-benzylidenepropylamine (6852-55-7) → N-benzyl-N-propylamine (2032-33-9)

Guidance literature:

With trans-RuCl₂(PPh₃)[PyCH₂NH(CH₂)₂PPh₂]; potassium tert-butylate; hydrogen; In tetrahydrofuran; at 40 ℃; for 16h; under 37503.8 Torr;

DOI:10.1021/om300670r

Reference yield: 95.0%

propylamine (107-10-8,42939-71-9) + benzaldehyde (100-52-7) → N-benzyl-N-propylamine (2032-33-9)

Guidance literature:

With triethylsilane; palladium 10% on activated carbon; In ethanol; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1002/aoc.3090

Reference yield: 94.0%

N-benzylidene-propylamine (27845-48-3) → N-benzyl-N-propylamine (2032-33-9)

Guidance literature:

With titanocene dichloride; butyl magnesium bromide; In diethyl ether; at 25 ℃; for 15h;

DOI:10.1016/S0040-4039(97)01797-8

upstream raw materials:

N-benzylidenepropylamine

N-benzyl-N-propyl-toluene-4-sulfonamide

propylamine

benzyl bromide

Downstream raw materials:

N-benzyl-N-methylpropan-1-amine

N-propyl-N-(3-cyanopropyl)benzylamine

Benzyl-(2-chloro-ethyl)-propyl-amine

tert-Butyl 3-(N-propyl-N-benzylamino)butanoate

Refernces

• 1、 Qiu, Ruomeng,Yu, Mingcheng,Gong, Juwen,Tian, Jinlong,Huang, Yafei,Wang, Yonghui,Xie, Qiong. "Discovery of tert-amine-based RORγt agonists". . . Retrieved 2021/07/26.
• 2、 Brandt, Andrew,Rangumagar, Ambar B.,Szwedo, Peter,Wayland, Hunter A.,Parnell, Charlette M.,Munshi, Pradip,Ghosh, Anindya. "Highly economical and direct amination of sp3carbon using low-cost nickel pincer catalyst". . p. 1862 - 1874. Retrieved 2021/01/20.