Benzonitrile, 4,5-dimethoxy-2-methyl-

Base Information

• Chemical Name: Benzonitrile, 4,5-dimethoxy-2-methyl-
• CAS No.: 58814-69-0
• Molecular Formula: C10H11NO2
• Molecular Weight: 177.203
• DSSTox Substance ID: DTXSID70460112
• Nikkaji Number: J1.732.136F
• Wikidata: Q82284029
• Mol file: 58814-69-0.mol

Synonyms:4,5-dimethoxy-2-methylbenzonitrile;58814-69-0;Benzonitrile, 4,5-dimethoxy-2-methyl-;SCHEMBL10541124;DTXSID70460112;4,5-dimethoxy-2-methylbenzoni-trile

Chemical Property of Benzonitrile, 4,5-dimethoxy-2-methyl-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C#N)OC)OC

Technology Process of Benzonitrile, 4,5-dimethoxy-2-methyl-

There total 5 articles about Benzonitrile, 4,5-dimethoxy-2-methyl- 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: 90.0%

1-bromo-4,5-dimethoxy-2-methylbenzene (52806-46-9) + copper(I) cyanide (544-92-3) → 4,5-dimethoxy-2-methyl-benzonitrile (58814-69-0)

Guidance literature:

In N,N-dimethyl-formamide; at 120 ℃; for 16h;

DOI:10.1021/jo010988v

Reference yield: 87.0%

Dichloromethyl methyl ether (4885-02-3) + 1,2-dimethoxy-4-methylbenzene (494-99-5) → 4,5-dimethoxy-2-methyl-benzonitrile (58814-69-0)

Guidance literature:

Dichloromethyl methyl ether; 1,2-dimethoxy-4-methylbenzene; With zinc dibromide; In dichloromethane; at 20 ℃; for 14h;

With ammonium hydroxide; iodine; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1002/ejoc.201403672

Reference yield: 43.0%

4,5-dimethoxy-2-methylaniline (41864-45-3) + copper(l) cyanide → 4,5-dimethoxy-2-methyl-benzonitrile (58814-69-0)

Guidance literature:

4,5-dimethoxy-2-methylaniline; With hydrogenchloride; sodium nitrite; In water; at 5 ℃;

With sodium carbonate; In water; pH=7;

copper(l) cyanide; In water; toluene; at 80 ℃; for 1.66667h; Cooling with ice;

DOI:10.1007/s00706-007-0826-8

upstream raw materials:

4,5-dimethoxy-2-methylaniline

1-bromo-4,5-dimethoxy-2-methylbenzene

copper(I) cyanide

1,2-dimethoxy-4-methylbenzene

Downstream raw materials:

1-amino-6,7-dimethoxy-3-piperidin-1-ylisoquinoline hydrochloride

1-amino-6,7-dimethoxy-3-(2-methyl-4,5-dimethoxyphenyl)isoquinoline hydrochloride

1-amino-6,7-dimethoxy-3-(dimethylamino)isoquinoline hydrochloride

2-bromomethyl-4,5-dimethoxybenzonitrile