4-Methoxyisophthalonitrile

Base Information

Chemical Name:4-Methoxyisophthalonitrile
CAS No.:22433-92-7
Molecular Formula:C9H6N2O
Molecular Weight:158.159
Hs Code.:
DSSTox Substance ID:DTXSID101293063
Mol file:22433-92-7.mol

Synonyms:4-Methoxyisophthalonitrile;2,4-dicyanoanisole;22433-92-7;SCHEMBL2094284;4-Methoxyisophthalonitrile, 97%;FKYJRTADEPVQIT-UHFFFAOYSA-N;DTXSID101293063;4-Methoxy-1,3-benzenedicarbonitrile

Suppliers and Price of 4-Methoxyisophthalonitrile

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 4-Methoxyisophthalonitrile

Chemical Property:

Melting Point:204 - 205 °C (diethyl ether)
PSA：56.81000
LogP:1.43856
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:158.048012819
Heavy Atom Count:12
Complexity:244

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C#N)C#N

Technology Process of 4-Methoxyisophthalonitrile

There total 13 articles about 4-Methoxyisophthalonitrile 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: 24.0%

: 21702-84-1
2,4-dibromoanisole

: 544-92-3
copper(I) cyanide

: 22433-92-7
2,4-dicyano-1-methoxybenzene

Guidance literature:: In N,N-dimethyl-formamide; at 120 ℃; for 15h;

Reference yield: 7.0%

: 67-56-1
methanol

: 151-50-8
potassium cyanide

: 619-72-7
4-nitrobenzonitrile

: 34133-58-9
4-hydroxy-isophthalonitrile

: 22433-92-7
2,4-dicyano-1-methoxybenzene

Guidance literature:: In dimethyl sulfoxide; at 100 ℃; for 2.5h;

Reference yield:

: 6939-93-1
4-bromo-isophthalic acid

: 22433-92-7
2,4-dicyano-1-methoxybenzene

Guidance literature:: Multi-step reaction with 3 steps

1: (i) SOCl₂, (ii) NH₃, benzene

2: POCl₃, NaCl

3: methanol

With sodium chloride; trichlorophosphate; In methanol;
DOI:10.1021/jo00827a001