1-(4-Methoxyphenyl)cyclopentanecarbonitrile

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)cyclopentanecarbonitrile
• CAS No.: 1206-15-1
• Molecular Formula: C13H15 N O
• Molecular Weight: 201.268
• Hs Code.: 2926909090
• European Community (EC) Number: 214-890-5
• NSC Number: 154614
• UNII: 9E92F34C62
• DSSTox Substance ID: DTXSID30152920
• Nikkaji Number: J217.052C
• Wikidata: Q83019711
• Mol file: 1206-15-1.mol

Synonyms:1-(4-Methoxyphenyl)cyclopentanecarbonitrile;1206-15-1;1-(4-methoxyphenyl)cyclopentane-1-carbonitrile;1-(4-Methoxyphenyl)-1-cyclopentanecarbonitrile;EINECS 214-890-5;MFCD00065276;NSC-154614;Cyclopentanecarbonitrile, 1-(4-methoxyphenyl)-;NSC154614;SCHEMBL1019336;DTXSID30152920;AC3194;STK503634;1-(p-Methoxyphenyl)cyclopentanenitrile;AKOS000264725;9E92F34C62;NSC 154614;LS-02178;SY083830;CS-0206910;FT-0633485;Cyclopentanecarbonitrile, 1-(p-methoxyphenyl)-;A922073

Chemical Property of 1-(4-Methoxyphenyl)cyclopentanecarbonitrile

Chemical Property:

• Vapor Pressure: 5.76E-05mmHg at 25°C
• Refractive Index: 1.536-1.538
• Boiling Point: 346.4°Cat760mmHg
• Flash Point: 146.2°C
• PSA: 33.02000
• Density: 1.07g/cm³
• LogP: 3.03058
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 201.115364102
• Heavy Atom Count: 15
• Complexity: 251

Purity/Quality:

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

1-(4-Methoxyphenyl)cyclopentanecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2(CCCC2)C#N

Technology Process of 1-(4-Methoxyphenyl)cyclopentanecarbonitrile

There total 3 articles about 1-(4-Methoxyphenyl)cyclopentanecarbonitrile 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: 80.0%

→ 1-(4-methoxyphenyl)-1-cyclopentanecarbonitrile (1206-15-1)

Guidance literature:

Reference yield: 75.0%

1,4-dibromo-butane (110-52-1) + p-methoxybenzylnitrile (104-47-2) → 1-(4-methoxyphenyl)-1-cyclopentanecarbonitrile (1206-15-1)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h;

Reference yield:

p-methoxybenzylnitrile (104-47-2) + 1,4-dichlorobutane (110-56-5) → 1-(4-methoxyphenyl)-1-cyclopentanecarbonitrile (1206-15-1)

Guidance literature:

With sodium amide;

upstream raw materials:

p-methoxybenzylnitrile

1,4-dichlorobutane

1,4-dibromo-butane

Downstream raw materials:

1-(4-methoxyphenyl)-1-cyclopentanecarboxylic acid

[1-(4-methoxyphenyl)-cyclopentyl]-methylamine

Refernces

• 1、 -. "CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS". Page 114; 75. . Retrieved 2008/06/13.
• 2、 Mndzhoyan, Sh. L.,Tsinker, M. G.,Ovakimyan, A. R.,Ter-Zakharyan, Yu. Z.,Oganyan, Sh. G.. "INVESTIGATIONS IN THE FIELD OF SEMISYNTHETIC PENICILLINS. XIV. 1-(ALKOXYPHENYL)CYCLOPENTYL-1-PENICILLINS". . p. 179 - 184. Retrieved 2007/10/02.