Benzenemethanamine, N-(butylcarbonimidoyl)-

Base Information

• Chemical Name: Benzenemethanamine, N-(butylcarbonimidoyl)-
• CAS No.: 111681-30-2
• Molecular Formula: C12H16N2
• Molecular Weight: 188.272
• DSSTox Substance ID: DTXSID90441701
• Nikkaji Number: J918.597F
• Mol file: 111681-30-2.mol

Synonyms:Benzenemethanamine, N-(butylcarbonimidoyl)-;111681-30-2;SCHEMBL19403145;DTXSID90441701

Chemical Property of Benzenemethanamine, N-(butylcarbonimidoyl)-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=NCC1=CC=CC=C1)N

Technology Process of Benzenemethanamine, N-(butylcarbonimidoyl)-

There total 4 articles about Benzenemethanamine, N-(butylcarbonimidoyl)- 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: 96.0%

N-benzyl-N′-butylurea (14117-22-7) → N-((benzylimino)methylene)butan-1-amine (111681-30-2)

Guidance literature:

With potassium carbonate; p-toluenesulfonyl chloride; N-benzyl-N,N,N-triethylammonium chloride; In benzene; for 4h; Heating;

DOI:10.1055/s-1987-27992

Reference yield:

n-butyl isonitrile (2769-64-4) + benzylamine (100-46-9) → N-((benzylimino)methylene)butan-1-amine (111681-30-2)

Guidance literature:

With air; gold; In hexane; at 20 ℃; for 0.166667h; Kinetics;

DOI:10.1021/ja0618907

Reference yield:

n-butyl isonitrile (2769-64-4) + benzyl azide (622-79-7) → N-((benzylimino)methylene)butan-1-amine (111681-30-2)

Guidance literature:

benzyl azide; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; for 0.0833333h; Sealed tube; Inert atmosphere; Green chemistry;

n-butyl isonitrile; In tetrahydrofuran; at 50 ℃; for 10h; Sealed tube; Inert atmosphere; Green chemistry;

DOI:10.1039/c5cc05981j

upstream raw materials:

N-benzyl-N′-butylurea

n-butyl isonitrile

benzylamine

benzyl bromide

Downstream raw materials:

C₁₃H₂₀N₄S*2ClH