4-Butylbenzylamine

Base Information

• Chemical Name: 4-Butylbenzylamine
• CAS No.: 57802-79-6
• Molecular Formula: C11H17N
• Molecular Weight: 163.263
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID20398638
• Nikkaji Number: J1.916.668F
• Wikidata: Q82200738
• ChEMBL ID: CHEMBL214938
• Mol file: 57802-79-6.mol

Synonyms:4-butylbenzylamine;57802-79-6;(4-butylphenyl)methanamine;4-(n-Butyl)benzylamine;4-N-BUTYLBENZYLAMINE;p-n-Butylbenzylamin;4-butyl-benzylamine;4-Butylbenzenemethanamine;4-n-Butylbenzylamine, 98%;SCHEMBL394855;CHEMBL214938;DTXSID20398638;4-N-Butylbenzylamine, AldrichCPR;IBVGSPOHLFKLHM-UHFFFAOYSA-N;MFCD02258855;1-(4-BUTYLPHENYL)METHANAMINE;AKOS009158069;SB76087;BS-23269;CS-0152345;FT-0640485;D81948

Chemical Property of 4-Butylbenzylamine

Chemical Property:

• Vapor Pressure: 0.0153mmHg at 25°C
• Boiling Point: 256.5 °C at 760 mmHg
• PKA: 9.20±0.10(Predicted)
• Flash Point: 114 °C
• PSA: 26.02000
• Density: 0.931 g/cm³
• LogP: 3.18820
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

4-N-Butylbenzylamine ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)CN

Technology Process of 4-Butylbenzylamine

There total 5 articles about 4-Butylbenzylamine 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:

4-butyl-benzaldehyde oxime → 4-n-butylbenzylamine (57802-79-6)

Guidance literature:

With hydrogen; acetic acid; platinum(IV) oxide; at 20 ℃; for 8h; under 3000.24 Torr;

DOI:10.1021/jm051076e

Reference yield:

4-n-butylbenzamide (107377-07-1) → 4-n-butylbenzylamine (57802-79-6)

Guidance literature:

With mercury; In tetrahydrofuran; diethyl ether;

Reference yield:

4-(n-butyl)benzaldehyde (1200-14-2) → 4-n-butylbenzylamine (57802-79-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NH₂OH / methanol / 0.5 h / Heating

2: H₂; AcOH / PtO₂*H₂O / 8 h / 20 °C / 3000.24 Torr

With hydrogen; hydroxylamine; acetic acid; platinum(IV) oxide; In methanol;

DOI:10.1021/jm051076e

upstream raw materials:

4-(n-butyl)benzaldehyde

4-n-butylbenzamide

Downstream raw materials:

{3-[(4-butyl-benzylamino)-methyl]-phenyl}-acetic acid methyl ester

(3-{[(4-butyl-benzyl)-(1-methyl-1H-imidazole-4-sulfonyl)-amino]-methyl}-phenyl)-acetic acid methyl ester

C₂₂H₂₅FeN

C₃₂H₄₇N₇O₂S

Refernces

• 1、 -. "Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus". Page/Page column 19; 20. . Retrieved 2010/11/26.
• 2、 -. "Antiatherosclerotic ureas and thioureas". . . Retrieved 2008/06/13.