4-Methoxy-3,5-dimethylbenzonitrile

Base Information

• Chemical Name: 4-Methoxy-3,5-dimethylbenzonitrile
• CAS No.: 152775-45-6
• Molecular Formula: C10H11 N O
• Molecular Weight: 161.203
• Hs Code.: 2926909090
• European Community (EC) Number: 628-403-2
• DSSTox Substance ID: DTXSID10566465
• Wikidata: Q72470848
• Mol file: 152775-45-6.mol

Synonyms:4-methoxy-3,5-dimethylbenzonitrile;152775-45-6;3,5-Dimethyl-4-methoxybenzonitrile;3 5-Dimethyl-4-methoxybenzonitrile 97;SCHEMBL932145;DTXSID10566465;4-Methoxy-3,5-dimethyl-benzonitrile;MFCD03428544;AKOS013153311;DS-6020;3,5-Dimethyl-4-methoxybenzonitrile, 97%;A3354;CS-0153722;J-008948

Chemical Property of 4-Methoxy-3,5-dimethylbenzonitrile

Chemical Property:

• Melting Point: 49-53 °C(lit.)
• Refractive Index: 1.518
• Boiling Point: 290℃
• Flash Point: >230 °F
• PSA: 33.02000
• Density: 1.04
• LogP: 2.18368
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,5-Dimethyl-4-methoxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1OC)C)C#N

Technology Process of 4-Methoxy-3,5-dimethylbenzonitrile

There total 7 articles about 4-Methoxy-3,5-dimethylbenzonitrile 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%

5-bromo-2-methoxy-1,3-dimethylbenzene (14804-38-7) + copper(l) cyanide → 4-methoxy-3,5-dimethylbenzonitrile (152775-45-6)

Guidance literature:

In N,N-dimethyl-formamide; at 136 ℃;

Reference yield: 93.2%

3,5-dimethyl-4-hydroxybenzonitrile (4198-90-7) + methyl iodide (74-88-4) → 4-methoxy-3,5-dimethylbenzonitrile (152775-45-6)

Guidance literature:

With potassium carbonate; In acetone; for 18h; Heating;

DOI:10.1021/jm00074a004

Reference yield: 92.0%

5-bromo-2-methoxy-1,3-dimethylbenzene (14804-38-7) + copper(I) cyanide (544-92-3) → 4-methoxy-3,5-dimethylbenzonitrile (152775-45-6)

Guidance literature:

In N,N-dimethyl-formamide; at 180 ℃; Inert atmosphere;

DOI:10.1021/ol802431v

upstream raw materials:

3,5-dimethyl-4-hydroxybenzonitrile

methyl iodide

5-bromo-2-methoxy-1,3-dimethylbenzene

copper(I) cyanide

Downstream raw materials:

5-(4-methoxy-3,5-dimethylphenyl)-2H-tetrazole

1-[4-(methylsulfonyl)phenyl]-2-(3,5-dimethyl-4-methoxyphenyl)-4-trifluoromethyl-4-hydroxy-4,5-dihydro-1H-imidazole

ethyl 2-(3,5-dimethyl-4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate

3,5-dimethyl-4-hydroxybenzonitrile

Refernces

• 1、 Chen, Hao,Mondal, Arup,Wedi, Philipp,Van Gemmeren, Manuel. "Dual Ligand-Enabled Nondirected C-H Cyanation of Arenes". . p. 1979 - 1984. Retrieved 2019/02/19.
• 2、 -. "NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA". Page/Page column 74-75. . Retrieved 2011/02/24.