7-Methyl-4-indancarbonitrile

Base Information

• Chemical Name: 7-Methyl-4-indancarbonitrile
• CAS No.: 15085-20-8
• Molecular Formula: C11H11 N
• Molecular Weight: 157.215
• Hs Code.: 2926909090
• NSC Number: 229345
• UNII: W6ZRS54SCX
• DSSTox Substance ID: DTXSID0065852
• Nikkaji Number: J421.935J
• Wikidata: Q81992457
• Mol file: 15085-20-8.mol

Synonyms:15085-20-8;4-CYANO-7-METHYLINDAN;7-Methyl-4-indancarbonitrile;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile;2,3-Dihydro-7-methyl-1H-indene-4-carbonitrile;1H-Indene-4-carbonitrile, 2,3-dihydro-7-methyl-;W6ZRS54SCX;NSC 229345;NSC-229345;NSC229345;UNII-W6ZRS54SCX;DTXSID0065852;SCHEMBL13453305;AKOS006277830;4-INDANCARBONITRILE, 7-METHYL-;FT-0665305;1H-Indene-4-carbonitrile,3-dihydro-7-methyl-;J-008749

Chemical Property of 7-Methyl-4-indancarbonitrile

Chemical Property:

• Vapor Pressure: 0.00118mmHg at 25°C
• Melting Point: 65-70°C
• Boiling Point: 299.6°Cat760mmHg
• Flash Point: 135.4°C
• PSA: 23.79000
• Density: 1.07g/cm³
• LogP: 2.35538
• Storage Temp.: Refrigerator
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 157.089149355
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

99.3% ^*data from raw suppliers

4-Cyano-7-methylindan ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2CCCC2=C(C=C1)C#N
• Uses: 4-Cyano-7-methylindan (cas# 15085-20-8) is a compound useful in organic synthesis.

Technology Process of 7-Methyl-4-indancarbonitrile

There total 13 articles about 7-Methyl-4-indancarbonitrile 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:

4-chloro-7-methyl-indan (2216-63-9) → 4-Cyano-7-methylhydrindene (15085-20-8)

Guidance literature:

at 265 ℃;

DOI:10.1021/ja01303a037

Reference yield:

→ 4-Cyano-7-methylhydrindene (15085-20-8)

Guidance literature:

With pyridine; at 220 - 230 ℃;

DOI:10.1021/ja01303a037

Reference yield:

para-chlorotoluene (106-43-4) → 4-Cyano-7-methylhydrindene (15085-20-8)

Guidance literature:

Multi-step reaction with 3 steps

1: AlCl₃; carbon disulfide / Eintragen des Reaktionsprodukts in auf 105grad erhitzte konz. Schwefelsaeure

2: amalgamated zinc; aq.-ethanolic HCl

3: 265 °C

With hydrogenchloride; carbon disulfide; aluminium trichloride; amalgamated zinc;

DOI:10.1021/ja01303a037

upstream raw materials:

7-methyl-indan-4-carboxylic acid amide

4-bromo-7-methyl-indan

copper(I) cyanide

1-pyrrolidinocyclopent-1-ene

Downstream raw materials:

4-(5-Fluoro-1-naphthoyl)-7-methylhydrindene

4-(7-Fluoro-1-naphthoyl)-7-methylhydrindene

4-(3-Fluoro-1-naphthoyl)-7-methylhydrindene

4-(5-Methoxy-1-naphthoyl)-7-methylhydrindene

Refernces