3-(2-Methoxy-phenylamino)-propionitrile

Base Information

• Chemical Name: 3-(2-Methoxy-phenylamino)-propionitrile
• CAS No.: 27472-15-7
• Molecular Formula: C10H12 N2 O
• Molecular Weight: 176.218
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID80367986
• Wikidata: Q82154235
• ChEMBL ID: CHEMBL1586707
• Mol file: 27472-15-7.mol

Synonyms:27472-15-7;3-(2-Methoxy-phenylamino)-propionitrile;3-(2-methoxyanilino)propanenitrile;3-((2-Methoxyphenyl)amino)propanenitrile;3-[(2-methoxyphenyl)amino]propanenitrile;MLS000570734;SCHEMBL9141530;CHEMBL1586707;DTXSID80367986;HMS2332B16;CBA47215;MFCD00460649;AKOS000115465;SMR000150562;EN300-02420;Z56813571

Chemical Property of 3-(2-Methoxy-phenylamino)-propionitrile

Chemical Property:

• Vapor Pressure: 7.83E-05mmHg at 25°C
• Boiling Point: 341.8°Cat760mmHg
• Flash Point: 160.5°C
• PSA: 45.05000
• Density: 1.106g/cm³
• LogP: 2.09378
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 176.094963011
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

98%Min ^*data from raw suppliers

3-[(2-methoxyphenyl)amino]propanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1NCCC#N

Technology Process of 3-(2-Methoxy-phenylamino)-propionitrile

There total 2 articles about 3-(2-Methoxy-phenylamino)-propionitrile 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: 93.0%

2-methoxy-phenylamine (90-04-0) + acrylonitrile (107-13-1,25014-41-9) → 3-((2-methoxyphenyl)amino)propanenitrile (27472-15-7)

Guidance literature:

2-methoxy-phenylamine; With potassium tert-butylate; 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium chloride; copper(l) chloride; In toluene; for 0.333333h; Inert atmosphere;

acrylonitrile; In toluene; at 22 ℃; for 15h; Inert atmosphere;

DOI:10.1021/acs.joc.6b00341

Reference yield:

→ 3-((2-methoxyphenyl)amino)propanenitrile (27472-15-7)

Guidance literature:

2-Methoxyanilin, Acrylnitril;

upstream raw materials:

2-methoxy-phenylamine

acrylonitrile

Refernces

• 1、 Hosseinzadeh, Rahman,Aghili, Nora,Tajbakhsh, Mahmood. "Synthesis, Characterization and Catalytic Application of MCM 41 Supported Phenanthrolinium Dibromide Catalyst for Aza-Michael Addition Reaction in Aqueous Medium". . p. 1194 - 1203. Retrieved 2016/07/06.