Rac 1-methyl-piperidine-2-carbonitrile

Base Information

• Chemical Name: Rac 1-methyl-piperidine-2-carbonitrile
• CAS No.: 18747-95-0
• Molecular Formula: C7H12N2
• Molecular Weight: 124.186
• DSSTox Substance ID: DTXSID40415856
• Mol file: 18747-95-0.mol

Synonyms:RAC 1-METHYL-PIPERIDINE-2-CARBONITRILE;18747-95-0;1-methylpiperidine-2-carbonitrile;MFCD11226130;SCHEMBL3939007;DTXSID40415856;1-Methyl-piperidine-2-carbonitrile;AKOS006306219;SB42738;RAC1-METHYL-PIPERIDINE-2-CARBONITRILE

Chemical Property of Rac 1-methyl-piperidine-2-carbonitrile

Chemical Property:

• Vapor Pressure: 0.19mmHg at 25°C
• Boiling Point: 210.7oC at 760 mmHg
• Flash Point: 79.4oC
• PSA: 27.03000
• Density: 0.97g/cm3
• LogP: 0.93218
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 124.100048391
• Heavy Atom Count: 9
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

rac1-Methyl-piperidine-2-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCCC1C#N

Technology Process of Rac 1-methyl-piperidine-2-carbonitrile

There total 16 articles about Rac 1-methyl-piperidine-2-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: 40.0%

N-methylcyclohexylamine (626-67-5) + 3-oxo-1λ3-benzo[d][1,2]iodaoxole-1(3H)-carbonitrile (172876-96-9) → 1-methyl-2-piperidinecarbonitrile (18747-95-0)

Guidance literature:

With tert-Butyl peroxybenzoate; In ethyl acetate; at 110 ℃; for 16h; Sealed tube; Inert atmosphere; Glovebox;

DOI:10.1039/c8ob00173a

Reference yield: 16.0%

N-methylcyclohexylamine (626-67-5) + sodium cyanide (773837-37-9) → piperidin-1-yl-acetonitrile (3010-03-5) + 1-methyl-2-piperidinecarbonitrile (18747-95-0)

Guidance literature:

With [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; acetic acid; In acetonitrile; at 20 ℃; for 24h; Irradiation; Sealed tube;

DOI:10.1021/acs.joc.8b01700

Reference yield: 11.0%

3-methylideneoxindole (1861-29-6) + 1-(trimethylsilylmethyl)piperidine-2-carbonitrile (292851-48-0) → 1-methyl-2-piperidinecarbonitrile (18747-95-0) + (3(1')RS,8a'RS)-2',3',6',7',8',8'a-hexahydrospiro[3H-indole-3,1'(5'H)-indolizin]-2(1H)-one + (3(1')SR,8a'RS)-2',3',6',7',8',8'a-hexahydrospiro[3H-indole-3,1'(5'H)-indolizin]-2(1H)-one

Guidance literature:

With silver fluoride; In dichloromethane; at 20 ℃; for 20h;

upstream raw materials:

N-methylcyclohexylamine

sodium cyanide

2,3-dicyano-5,6-dichloro-p-benzoquinone

potassium cyanide