2,3,4-Trimethoxyphenylacetonitrile

Base Information

• Chemical Name: 2,3,4-Trimethoxyphenylacetonitrile
• CAS No.: 68913-85-9
• Molecular Formula: C11H13NO3
• Molecular Weight: 207.229
• Hs Code.: 2926909090
• European Community (EC) Number: 675-774-1
• DSSTox Substance ID: DTXSID60218987
• Nikkaji Number: J308.934G
• Wikidata: Q83095885
• Mol file: 68913-85-9.mol

Synonyms:2,3,4-Trimethoxyphenylacetonitrile;68913-85-9;2-(2,3,4-trimethoxyphenyl)acetonitrile;2,3,4-trimethoxyphenyl-acetonitrile;Benzeneacetonitrile,2,3,4-trimethoxy-;trimethoxy phenyl acetonitrile;SCHEMBL6234576;DTXSID60218987;MFCD00060292;(2,3,4-trimethoxyphenyl)acetonitrile;AKOS015851713;FS-5455;2-(2,3,4-trimethoxyphenyl)ethanenitrile;98%;CS-0119748;FT-0676323;EN300-1844613;A836287

Chemical Property of 2,3,4-Trimethoxyphenylacetonitrile

Chemical Property:

• Vapor Pressure: 0.00041mmHg at 25°C
• Melting Point: 29-31°C
• Refractive Index: 1.506
• Boiling Point: 316.4 °C at 760 mmHg
• Flash Point: 126.9 °C
• PSA: 51.48000
• Density: 1.104 g/cm³
• LogP: 1.77848
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 207.08954328
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

98%min ^*data from raw suppliers

2,3,4-Trimethoxyphenylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)CC#N)OC)OC

Technology Process of 2,3,4-Trimethoxyphenylacetonitrile

There total 7 articles about 2,3,4-Trimethoxyphenylacetonitrile 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: 85.0%

2-[(Z)-Hydroxyimino]-3-(2,3,4-trimethoxy-phenyl)-propionic acid (68913-84-8) → 2-(2,3,4-trimethoxyphenyl)acetonitrile (68913-85-9)

Guidance literature:

With 1,1'-carbonyldiimidazole; In benzene; 1.) r.t., 15 min, 2.) 68-70 deg C, 1 h;

DOI:10.1248/cpb.39.3030

Reference yield:

1-bromomethyl-2,3,4-trimethoxybenzene oil + phosphortribromide + 2,3,4-trimethoxybenzylalcohol (71989-96-3) → 2-(2,3,4-trimethoxyphenyl)acetonitrile (68913-85-9)

Guidance literature:

With potassium cyanide; sodium chloride; In ice-water; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

2,3,4-trimethoxybenzyl chloride (1133-49-9) → 2-(2,3,4-trimethoxyphenyl)acetonitrile (68913-85-9)

Guidance literature:

With sodium iodide; In acetone;

upstream raw materials:

2-[(Z)-Hydroxyimino]-3-(2,3,4-trimethoxy-phenyl)-propionic acid

2,3,4-trimethoxybenzylalcohol

2,3,4-trimethoxybenzyl chloride

sodium cyanide

Downstream raw materials:

2-Amino-3-(2,3,4-trimethoxy-phenyl)-benzo[4,5]thieno[3,2-b]pyran-4-one

2-Amino-3-(2,3,4-trimethoxy-phenyl)-thiochromen-4-one

2-Isopropyl-5-{[3-(2-methoxy-phenoxy)-propyl]-methyl-amino}-2-(2,3,4-trimethoxy-phenyl)-pentanenitrile

2-Isopropyl-5-[3-(2-methoxy-phenoxy)-propylamino]-2-(2,3,4-trimethoxy-phenyl)-pentanenitrile

Refernces

• 1、 -. "Process of preparing discotic liquid crystalline compounds". . . Retrieved 2008/06/13.
• 2、 Kitagawa,Kawaguchi,Inoue,Katayama. "Degradation of 3-aryl-2-hydroxyiminopropionic acids into arylacetonitriles using 1,1'-carbonyldiimidazole or 2,2'-oxalyldi(o-sulfobenzimide)". . p. 3030 - 3033. Retrieved 2007/10/02.