1-(Dimethylamino)cyclopentanecarbonitrile

Base Information

• Chemical Name: 1-(Dimethylamino)cyclopentanecarbonitrile
• CAS No.: 22912-31-8
• Molecular Formula: C8H14N2
• Molecular Weight: 138.213
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID50444596
• Wikidata: Q82262779
• Mol file: 22912-31-8.mol

Synonyms:1-(Dimethylamino)cyclopentanecarbonitrile;22912-31-8;1-(dimethylamino)cyclopentane-1-carbonitrile;SCHEMBL3042550;DTXSID50444596;HZWBDLLSZAIPBC-UHFFFAOYSA-N;MFCD09880530;AKOS009986758;LS-06094;BB 0218305;CS-0217999;FT-0766510;EN300-97016

Chemical Property of 1-(Dimethylamino)cyclopentanecarbonitrile

Chemical Property:

• Vapor Pressure: 0.08mmHg at 25°C
• Boiling Point: 226.917°C at 760 mmHg
• Flash Point: 86.006°C
• PSA: 27.03000
• Density: 0.966g/cm³
• LogP: 1.38438
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.115698455
• Heavy Atom Count: 10
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

1-(Dimethylamino)cyclopentanecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1(CCCC1)C#N

Technology Process of 1-(Dimethylamino)cyclopentanecarbonitrile

There total 5 articles about 1-(Dimethylamino)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: 96.5%

N,N-dimethylammonium chloride (506-59-2) + potassium cyanide (151-50-8) + cyclopentanone (120-92-3) → 1-(dimethylamino)cyclopentanecarbonitrile (22912-31-8)

Guidance literature:

In water; at 0 - 20 ℃; for 18.1667h; Product distribution / selectivity;

Reference yield: 96.5%

potassium cyanide + N,N-dimethylammonium chloride (506-59-2) + cyclopentanone (120-92-3) → 1-(dimethylamino)cyclopentanecarbonitrile (22912-31-8)

Guidance literature:

In water; at 20 ℃; Product distribution / selectivity; Cooling with ice;

Reference yield:

cyclopentanone (120-92-3) → 1-(dimethylamino)cyclopentanecarbonitrile (22912-31-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) sodium bisulfite / 1.) water, RT, 30 min, 2.) RT, 2 h

2: H₂O / 2 h / Ambient temperature

With sodium hydrogensulfite; In water;

DOI:10.1016/0022-328X(90)87207-T

upstream raw materials:

potassium cyanide

dimethyl amine

cyclopentanone

1-hydroxycyclopentanecarbonitrile

Downstream raw materials:

1-(aminomethyl)-N,N-dimethylcyclopentane-1-amine

(+/-)-{1-[amino(phenyl)methy|]cyclopentyl}dimethylamine

C₁₅H₂₂N₂O

C₁₄H₁₉FN₂

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