N1-phenylbutane-1,4-diamine

Base Information

• Chemical Name: N1-phenylbutane-1,4-diamine
• CAS No.: 223394-90-9
• Molecular Formula: C₁₀H₁₆N₂
• Molecular Weight: 164.25
• European Community (EC) Number: 892-800-9
• Nikkaji Number: J1.051.826A
• Mol file: 223394-90-9.mol

Synonyms:N1-phenylbutane-1,4-diamine;N1-phenyl-1,4-Butanediamine;223394-90-9;N-phenylbutane-1,4-diamine;phenyl-putrescine;N'-phenylbutane-1,4-diamine;SCHEMBL1493178;JLEVIIXQWDFJLG-UHFFFAOYSA-N;CS-0434632;F84053

Chemical Property of N1-phenylbutane-1,4-diamine

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 164.131348519
• Heavy Atom Count: 12
• Complexity: 98

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NCCCCN

Technology Process of N1-phenylbutane-1,4-diamine

There total 11 articles about N1-phenylbutane-1,4-diamine 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: 82.0%

N-(4-phenylamino-butyl)-benzamide (163979-84-8) → N-phenyl-tetramethylenediamine (223394-90-9)

Guidance literature:

With sulfuric acid; In water; at 150 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1016/j.tetlet.2010.07.075

Reference yield: 80.0%

4-(phenylamino)butyronitrile (73747-25-8) → N-phenyl-tetramethylenediamine (223394-90-9)

Guidance literature:

With borane; In tetrahydrofuran; for 1h; Reflux;

DOI:10.1055/s-0028-1087817

Reference yield: 78.0%

N-phenyl-N'-(2,2-dimethylpropionyl)tetramethylenediamine (1245641-09-1) → N-phenyl-tetramethylenediamine (223394-90-9)

Guidance literature:

With sulfuric acid; In water; at 150 ℃; for 0.15h; Microwave irradiation;

DOI:10.1016/j.tetlet.2010.07.075

upstream raw materials:

1,4-diaminobutane

4-(phenylamino)butyronitrile

N-(2,4-dichlorobenzoyl)-N'-phenyltetramethylenediamine

N-phenyl-N'-(2,2-dimethylpropionyl)tetramethylenediamine

Downstream raw materials:

N-acetyl-N'-phenyl-1,4-butanediamine

N¹,N⁴-diphenylbutane-1,4-diamine

Refernces

• 1、 Mollo, Maria C.,Gruber, Nadia,Diaz, Jimena E.,Bisceglia, Juan A.,Orelli, Liliana R.. "An Efficient Synthesis of N-Alkyl-N-arylputrescines and Cadaverines". . p. 444 - 452. Retrieved 2015/10/28.
• 2、 Ramírez, María A.,Corona, María V.,Ortiz, Gisela,Salerno, Alejandra,Perillo, Isabel A.,Blanco, María M.. "New synthetic routes for N-substituted 1,n-diamines. II. Synthesis of selectively N-substituted tetra- and pentamethylenediamines from ω-alkanoic acid derivatives". supporting information; experimental part. p. 1466 - 1468. Retrieved 2011/06/10.