1-(4-Bromophenyl)cyclopentanecarbonitrile

Base Information

• Chemical Name: 1-(4-Bromophenyl)cyclopentanecarbonitrile
• CAS No.: 143328-19-2
• Molecular Formula: C12H12BrN
• Molecular Weight: 250.138
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID90398403
• Mol file: 143328-19-2.mol

Synonyms:1-(4-BROMOPHENYL)CYCLOPENTANECARBONITRILE;143328-19-2;1-(4-bromophenyl)cyclopentane-1-carbonitrile;MFCD01536834;1-(4-bromophenyl)cyclopentanecarbonitrile(SALTDATA: FREE);SCHEMBL1141221;DTXSID90398403;NLHJLQZXHOLSBX-UHFFFAOYSA-N;STL196574;AKOS000298368;AB90887;AS-65062;SY123349;1-(4-bromophenyl)-cyclopentanecarbonitrile;1-(4-Bromo-phenyl)-cyclopentanecarbonitrile;BB 0245833;CS-0038034;EN300-49404;J-503257

Chemical Property of 1-(4-Bromophenyl)cyclopentanecarbonitrile

Chemical Property:

• Vapor Pressure: 4.14E-05mmHg at 25°C
• Boiling Point: 351.3oC at 760 mmHg
• Flash Point: 166.3oC
• PSA: 23.79000
• Density: 1.41g/cm3
• LogP: 3.78448
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 249.01531
• Heavy Atom Count: 14
• Complexity: 238

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)(C#N)C2=CC=C(C=C2)Br

Technology Process of 1-(4-Bromophenyl)cyclopentanecarbonitrile

There total 2 articles about 1-(4-Bromophenyl)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: 94.1%

1,4-dibromo-butane (110-52-1) + 4-Bromophenylacetonitrile (16532-79-9) → 1-(4-bromophenyl)cyclopentane-1-carbonitrile (143328-19-2)

Guidance literature:

4-Bromophenylacetonitrile; With sodium hydride; In N,N-dimethyl-formamide; for 0.5h; Reflux;

1,4-dibromo-butane; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

Reference yield:

→ 1-(4-bromophenyl)cyclopentane-1-carbonitrile (143328-19-2)

Guidance literature:

Reference yield: 86.0%

1-(4-bromophenyl)cyclopentane-1-carbonitrile (143328-19-2) → 1-(4-bromophenyl)-3-oxocyclopentane-1-carbonitrile

Guidance literature:

With (R,R)-Mn(CF₃-PDP)(MeCN)2(SbF₆)2; dihydrogen peroxide; chloroacetic acid; In water; acetonitrile; at 0 ℃; for 3h; Reagent/catalyst; Temperature; chemoselective reaction; Catalytic behavior;

DOI:10.1038/s41557-018-0175-8

upstream raw materials:

1,4-dibromo-butane

4-Bromophenylacetonitrile

Downstream raw materials:

1-(4-bromophenyl)cyclopentanecarboxylic acid

1-(4-bromophenyl)cyclopentane-1-carboxylic acid chloride

Sodium; (2S,5R,6R)-6-{[1-(4-bromo-phenyl)-cyclopentanecarbonyl]-amino}-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate

Sodium; (6R,7R)-7-{[1-(4-bromo-phenyl)-cyclopentanecarbonyl]-amino}-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate

Refernces

• 1、 -. "CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES". Paragraph 0129; 0146-1047. . Retrieved 2020/03/28.
• 2、 -. "PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE". Paragraph 0868-0870. . Retrieved 2014/07/22.