4-Methoxy-2-methyl-3-nitrobenzonitrile

Base Information

Chemical Name:4-Methoxy-2-methyl-3-nitrobenzonitrile
CAS No.:85598-14-7
Molecular Formula:C₉H₈N₂O₃
Molecular Weight:192.174
Hs Code.:
DSSTox Substance ID:DTXSID401283930

Synonyms:4-methoxy-2-methyl-3-nitrobenzonitrile;85598-14-7;DTXSID401283930;F91864

Suppliers and Price of 4-Methoxy-2-methyl-3-nitrobenzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-Methoxy-2-methyl-3-nitrobenzonitrile

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:192.05349212
Heavy Atom Count:14
Complexity:265

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C=CC(=C1[N+](=O)[O-])OC)C#N

Technology Process of 4-Methoxy-2-methyl-3-nitrobenzonitrile

There total 4 articles about 4-Methoxy-2-methyl-3-nitrobenzonitrile 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: 97.0%

: 85598-13-6
1-bromo-4-methoxy-2-methyl-3-nitro-benzene

: 75-86-5
2-hydroxy-2-methylpropanenitrile

: 85598-14-7
2-Nitro-3-methyl-4-cyanoanisole

Guidance literature:: With [Pd(cinnamyl)Cl]2; triethylamine; XPhos; In isopropyl alcohol; at 80 ℃; for 5.4h; Inert atmosphere;
DOI:10.1021/acs.oprd.6b00229

Reference yield:

: 4920-77-8
3-methyl-2-nitrophenol

: 85598-14-7
2-Nitro-3-methyl-4-cyanoanisole

Guidance literature:: Multi-step reaction with 3 steps

1: 160.5 g / Br₂ / acetic acid; CHCl₃ / 2 h

2: 81.2 g / NaOH / H₂O / Heating

3: 1) NaCN; 2) FeCl₃*6H₂O/conc.HCl / 1) DMF, reflux, 3.25 h; 2) DMF/water

With hydrogenchloride; sodium hydroxide; sodium cyanide; bromine; In chloroform; water; acetic acid;
DOI:10.1002/jhet.5570200132

Reference yield:

: 85598-12-5
4-bromo-3-methyl-2-nitro-phenol

: 85598-14-7
2-Nitro-3-methyl-4-cyanoanisole

Guidance literature:: Multi-step reaction with 2 steps

1: 81.2 g / NaOH / H₂O / Heating

2: 1) NaCN; 2) FeCl₃*6H₂O/conc.HCl / 1) DMF, reflux, 3.25 h; 2) DMF/water

With hydrogenchloride; sodium hydroxide; sodium cyanide; In water;
DOI:10.1002/jhet.5570200132