Benzylammonium acetate

Base Information

• Chemical Name: Benzylammonium acetate
• CAS No.: 2182-52-7
• Molecular Formula: C9H13NO2
• Molecular Weight: 167.208
• Hs Code.: 2921499090
• European Community (EC) Number: 218-560-1
• Mol file: 2182-52-7.mol

Synonyms:Benzylammonium acetate;2182-52-7;EINECS 218-560-1;benzylamine acetate;acetic acid;phenylmethanamine;SCHEMBL1256239

Chemical Property of Benzylammonium acetate

Chemical Property:

• Vapor Pressure: 0.713mmHg at 25°C
• Melting Point: 144.5-145.5 °C(Solv: benzene (71-43-2))
• Boiling Point: 185°Cat760mmHg
• Flash Point: 60°C
• PSA: 63.32000
• Density: g/cm³
• LogP: 1.93650
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 167.094628657
• Heavy Atom Count: 12
• Complexity: 86.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)O.C1=CC=C(C=C1)CN

Technology Process of Benzylammonium acetate

There total 3 articles about Benzylammonium acetate 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:

acetic acid (64-19-7,77671-22-8) + benzonitrile (100-47-0) → benzylamine acetic acid (2182-52-7)

Guidance literature:

acetic acid; benzonitrile; With palladium 10% on activated carbon; hydrogen; at 24 - 28 ℃; for 15h;

In methanol;

DOI:10.1002/ejoc.202000695

Reference yield:

HgC6H5CH2NH(1+)*CH3COO(1-)=HgNHC6H5CH2CH3COO → benzylamine acetic acid (2182-52-7) + mercury dibromide

Guidance literature:

With ammonium bromide; byproducts: NH3;

Reference yield:

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + 1,7-diacetoxy-2,4,6-trinitro-2,4,6-triazaheptane (14173-62-7) + benzylamine (100-46-9) → 1,3,5-Tribenzyl-1,3,5-triazacyclohexane (2547-66-2) + benzylamine acetic acid (2182-52-7)

Guidance literature:

DOI:10.1021/ja01585a026

upstream raw materials:

1,4-dioxane

1,7-diacetoxy-2,4,6-trinitro-2,4,6-triazaheptane

benzylamine

acetic acid

Downstream raw materials:

7-Benzyl-3-oxa-7-azabicyclo<3.3.1>nonan-9-one

ethyl 4-nitrocinnamate

ethyl 3-phenyl-2-propenoate

rac-ethyl 3-benzylamino-3-phenylpropanoate