2-(4-Methoxy-2-nitrophenyl)acetonitrile

Base Information

• Chemical Name: 2-(4-Methoxy-2-nitrophenyl)acetonitrile
• CAS No.: 105003-90-5
• Molecular Formula: C9H8 N2 O3
• Molecular Weight: 192.174
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID50457929
• Wikidata: Q82281007
• Mol file: 105003-90-5.mol

Synonyms:2-(4-Methoxy-2-nitrophenyl)acetonitrile;105003-90-5;(4-methoxy-2-nitro-phenyl)-acetonitrile;(4-METHOXY-2-NITROPHENYL)ACETONITRILE;SCHEMBL2436850;DTXSID50457929;GFFVSMHCRCHFEI-UHFFFAOYSA-N;4-Methoxy-2-nitro-cyanomethylbenzene;MFCD07780792;4-Methoxy-2-(nitrophenyl)acetonitrile;AKOS012506283;DS-2774;SB30385;CS-0316708;FT-0731936;A896087

Chemical Property of 2-(4-Methoxy-2-nitrophenyl)acetonitrile

Chemical Property:

• PSA: 78.84000
• LogP: 2.19268
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 192.05349212
• Heavy Atom Count: 14
• Complexity: 253

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Methoxy-2-nitrophenyl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)CC#N)[N+](=O)[O-]

Technology Process of 2-(4-Methoxy-2-nitrophenyl)acetonitrile

There total 8 articles about 2-(4-Methoxy-2-nitrophenyl)acetonitrile 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: 76.2%

ethyl 2-cyano-2-(4-methoxy-2-nitrophenyl)acetate (65547-98-0) → (4-methoxy-2-nitro-phenyl)-acetonitrile (105003-90-5)

Guidance literature:

With sodium carbonate; In water; at 20 ℃; for 40h;

Reference yield: 41.0%

3-nitroanisole (555-03-3) + (4-chlorophenoxy)acetonitrile (3598-13-8) → (6-methoxy-2-nitrophenyl)acetonitrile (20876-27-1) + (4-methoxy-2-nitro-phenyl)-acetonitrile (105003-90-5) + (2-methoxy-4-nitrophenyl)acetonitrile (313233-24-8)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at -20 - -10 ℃; for 0.5h;

Reference yield: 22.0%

ethyl 2-cyanoacetate (105-56-6) + 2-chloro-5-methoxynitrobenzene (10298-80-3) → (4-methoxy-2-nitro-phenyl)-acetonitrile (105003-90-5)

Guidance literature:

With sodium hydride; cesium fluoride; In N,N-dimethyl-formamide; at 70 ℃; for 24h;

DOI:10.1002/jhet.5570410303

upstream raw materials:

3-nitroanisole

(4-chlorophenoxy)acetonitrile

ethyl 2-cyanoacetate

2-chloro-5-methoxynitrobenzene

Downstream raw materials:

(4-methoxy-2-nitro-phenyl)-acetic acid

2-(2-amino-4-methoxyphenyl)acetonitrile

2-(4-methoxy-2-nitro-phenyl)-ethylamine

(4-methoxy-2-nitro-phenyl)-acetic acid methyl ester