1-(2,4-Dichlorophenyl)cyclopentane-1-carbonitrile

Base Information

• Chemical Name: 1-(2,4-Dichlorophenyl)cyclopentane-1-carbonitrile
• CAS No.: 61023-75-4
• Molecular Formula: C12H11Cl2N
• Molecular Weight: 240.12800
• DSSTox Substance ID: DTXSID30599795
• Wikidata: Q82495746
• Mol file: 61023-75-4.mol

Synonyms:61023-75-4;1-(2,4-Dichlorophenyl)cyclopentane-1-carbonitrile;1-(2,4-Dichlorophenyl)cyclopentanecarbonitrile;MFCD11036745;SCHEMBL11468178;DTXSID30599795;AC6459;AKOS009265404;SY225767;CS-0357617;A913665

Chemical Property of 1-(2,4-Dichlorophenyl)cyclopentane-1-carbonitrile

Chemical Property:

• PSA: 23.79000
• LogP: 4.32878
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 239.0268547
• Heavy Atom Count: 15
• Complexity: 275

Purity/Quality:

97% ^*data from raw suppliers

1-(2,4-Dichlorophenyl)cyclopentane-1-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2,4-Dichlorophenyl)cyclopentane-1-carbonitrile

There total 2 articles about 1-(2,4-Dichlorophenyl)cyclopentane-1-carbonitrile 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:

1,4-dibromo-butane (110-52-1) + 2,4-Dichlorophenylacetonitrile (6306-60-1) + tetraethylammonium bromide (71-91-0) → α, α-tetramethylene-2,4-dichlorobenzyl cyanide (61023-75-4)

Guidance literature:

With sodium hydroxide; In dichloromethane;

Reference yield:

→ α, α-tetramethylene-2,4-dichlorobenzyl cyanide (61023-75-4)

Guidance literature:

entspr. RCH2CN, 1,4-Dibrombutan;

Reference yield:

α, α-tetramethylene-2,4-dichlorobenzyl cyanide (61023-75-4) → 1-(2,4-dichlorophenyl)cyclopentanecarboxylic acid (61023-76-5)

Guidance literature:

With potassium hydroxide; In diethylene glycol;

upstream raw materials:

1,4-dibromo-butane

2,4-Dichlorophenylacetonitrile

tetraethylammonium bromide

Downstream raw materials:

1-(2,4-dichlorophenyl)cyclopentanecarboxylic acid

2,2,-tetramethylene-2-(2,4-dichlorophenyl)-ethyl alcohol

2,2-tetramethylene-2-(2,4-dichlorophenyl)ethyl methane sulfonate

1-[1-(2,4-dichloro-phenyl)-cyclopentylmethyl]-1H-imidazole

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