2-Cyano-7-methylnaphthalene

Base Information

• Chemical Name: 2-Cyano-7-methylnaphthalene
• CAS No.: 38879-96-8
• Molecular Formula: C₁₂H₉N
• Molecular Weight: 167.21
• DSSTox Substance ID: DTXSID20431130
• Nikkaji Number: J2.152.538C
• Wikidata: Q82244939
• Mol file: 38879-96-8.mol

Synonyms:7-M-2-NCN;7-methyl-2-naphthalenecarbonitrile

Chemical Property of 2-Cyano-7-methylnaphthalene

Chemical Property:

• PSA: 23.79000
• LogP: 3.01988
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 167.073499291
• Heavy Atom Count: 13
• Complexity: 225

Purity/Quality:

97% ^*data from raw suppliers

2-Cyano-7-methylnaphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C=CC(=C2)C#N

Technology Process of 2-Cyano-7-methylnaphthalene

There total 12 articles about 2-Cyano-7-methylnaphthalene 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: 58.4%

3-(4-cyanostyryl)furan (128587-79-1) → 7-methyl-2-naphthalene carbonitrile (38879-96-8)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In ethanol; benzene; Inert atmosphere; UV-irradiation;

DOI:10.1016/j.tetlet.2011.10.141

Reference yield: 52.0%

trans-3-(4-cyanostyryl)furan (1562367-99-0) → 7-methyl-2-naphthalene carbonitrile (38879-96-8)

Guidance literature:

With potassium hydroxide; In methanol; water; at 40 ℃; for 3h; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1016/j.tet.2014.01.035

Reference yield: 49.0%

2-(hydroxy-m-tolyl-methyl)-4,4-dimethoxy-butyronitrile → 7-methyl-2-naphthalene carbonitrile (38879-96-8)

Guidance literature:

With hydrogen bromide; acetic acid; at 100 ℃; for 2h;

DOI:10.1248/cpb.53.448

upstream raw materials:

potassium cyanide

tetramethylstannane

7-cyanonaphthalen-2-yl trifluoromethanesulfonate

7-methoxy-2-naphthol

Downstream raw materials:

7-(bromomethyl)naphthalene-2-carbonitrile

4-{4-[(7-carbamimidoyl-naphthalen-2-ylmethyl)-ethoxycarbonylmethanesulfonyl-amino]-phenoxy}-piperidine-1-carboxylic acid tert-butyl ester

4-{4-[(7-carbamimidoyl-naphthalen-2-ylmethyl)-methanesulfonyl-amino]-phenoxy}-piperidine-1-carboxylic acid tert-butyl ester