N-Benzylethylenediamine

Base Information

• Chemical Name: N-Benzylethylenediamine
• CAS No.: 4152-09-4
• Molecular Formula: C9H14 N2
• Molecular Weight: 150.224
• Hs Code.: 29335990
• European Community (EC) Number: 223-984-5
• NSC Number: 18480
• UNII: 6SY1AQX8QS
• DSSTox Substance ID: DTXSID9063322
• Nikkaji Number: J37.740F
• Wikidata: Q72441162
• Mol file: 4152-09-4.mol

Synonyms:BEDA compound;N-benzylethylenediamine

Chemical Property of N-Benzylethylenediamine

Chemical Property:

• Vapor Pressure: 0.0129mmHg at 25°C
• Refractive Index: 1.5400
• Boiling Point: 250 ºC
• PKA: 9.27±0.10(Predicted)
• Flash Point: 95 ºC
• PSA: 38.05000
• Density: 0.996
• LogP: 1.82610
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: negligible
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 150.115698455
• Heavy Atom Count: 11
• Complexity: 87.6

Purity/Quality:

99.9% ^*data from raw suppliers

N-Benzylethylenediamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNCCN
• Uses: N-Benzylethylenediamine may be used for the synthesis of N-benzyl-N,N′,N′-tris(tert-butyloxycarbonylmethyl)ethylenediamine and 3-benzyl-2-(phenyl-2-sulfonate)-2-imidazoline tetraheptylammonium salt.

Technology Process of N-Benzylethylenediamine

There total 22 articles about N-Benzylethylenediamine 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: 95.0%

ethylenediamine (107-15-3,85404-18-8) + benzyl-methyl-amine (103-67-3) → methylamine (74-89-5) + N-benzylethylenediamine (4152-09-4)

Guidance literature:

palladium; at 120 ℃; for 10h;

DOI:10.1021/ja00353a025

Reference yield: 80.0%

benzaldehyde (100-52-7) + ethylenediamine (107-15-3,85404-18-8) → N-benzylethylenediamine (4152-09-4)

Guidance literature:

benzaldehyde; ethylenediamine; In methanol; for 2h; cooling;

With sodium tetrahydroborate; In methanol; at 20 ℃; for 7h;

DOI:10.1016/j.tetlet.2006.06.128

Reference yield: 51.0%

benzyl chloride (100-44-7) + ethylenediamine (107-15-3,85404-18-8) → N-benzylethylenediamine (4152-09-4)

Guidance literature:

at 100 ℃; for 8h;

DOI:10.1002/recl.19951140305

upstream raw materials:

ethyleneimine

benzylamine

formic acid

N,N'-bis(benzyliden)ethylendiamine

Downstream raw materials:

1-benzyl-2-methyl-4,5-dihydro-1H-imidazole

2--1-phenylethanol

2-[(2-Benzylamino-ethyl)-(2-hydroxy-2-phenyl-ethyl)-amino]-1-phenyl-ethanol

N-Benzyl-N'-(triphenylmethyl)ethane-1,2-diamine

Refernces

• 1、 -. "Low emission epoxy resin composition". Paragraph 0224-0229. . Retrieved 2021/09/01.
• 2、 Lv, Kai,Li, Linhu,Wang, Bo,Liu, Mingliang,Wang, Bin,Shen, Weiyi,Guo, Huiyuan,Lu, Yu. "Design, synthesis and antimycobacterial activity of novel imidazo[1,2-a]pyridine-3-carboxamide derivatives". . p. 117 - 125. Retrieved 2017/06/05.