4-Amino-1-methylpiperidine-4-carbonitrile

Base Information

• Chemical Name: 4-Amino-1-methylpiperidine-4-carbonitrile
• CAS No.: 123194-00-3
• Molecular Formula: C7H13N3
• Molecular Weight: 139.2
• European Community (EC) Number: 855-808-3
• DSSTox Substance ID: DTXSID10465686
• Wikidata: Q82291837
• Mol file: 123194-00-3.mol

Synonyms:4-amino-1-methylpiperidine-4-carbonitrile;123194-00-3;4-Piperidinecarbonitrile, 4-amino-1-methyl-;4-amino-1-methyl-piperidine-4-carbonitrile;SCHEMBL1139876;DTXSID10465686;HUTRESLXFRPBOW-UHFFFAOYSA-N;YEA19400;4-amino-4-cyano-1-methylpiperidine;MFCD09739421;AKOS000146240;SB41951;BS-13217;CS-0091563;FT-0706633;EN300-31941;4-amino-1-methylpiperidine-4-carbonitrile, AldrichCPR;Z247612626

Chemical Property of 4-Amino-1-methylpiperidine-4-carbonitrile

Chemical Property:

• PSA: 53.05000
• LogP: 0.57128
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 139.110947427
• Heavy Atom Count: 10
• Complexity: 159

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-Amino-1-methylpiperidine-4-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(CC1)(C#N)N

Technology Process of 4-Amino-1-methylpiperidine-4-carbonitrile

There total 7 articles about 4-Amino-1-methylpiperidine-4-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: 81.0%

1-Methyl-4-piperidone (1445-73-4) + sodium cyanide (773837-37-9) → 4-amino-1-methyl-piperidine 4-carbonitrile (123194-00-3)

Guidance literature:

With ammonium hydroxide; ammonium chloride; In isopropyl alcohol; at 20 ℃; Inert atmosphere;

DOI:10.1021/acscombsci.6b00005

Reference yield: 72.0%

4-Amino-1-methylpiperidine (41838-46-4) + trimethylsilyl cyanide (7677-24-9) → 4-amino-1-methyl-piperidine 4-carbonitrile (123194-00-3)

Guidance literature:

4-Amino-1-methylpiperidine; With 3,5-di-tert-butyl-o-benzoquinone; In methanol; at 25 ℃;

trimethylsilyl cyanide; In methanol; at 0 - 25 ℃; for 24h;

With periodic acid; In methanol; water; acetonitrile; at 0 ℃; for 1h;

DOI:10.1039/c8sc05164j

Reference yield: 53.0%

1-Methyl-4-piperidone (1445-73-4) + potassium cyanide (151-50-8) → 4-amino-1-methyl-piperidine 4-carbonitrile (123194-00-3)

Guidance literature:

With ammonium chloride; In water; at 60 ℃;

DOI:10.1016/j.bmcl.2007.02.046

upstream raw materials:

1-Methyl-4-piperidone

potassium cyanide

ammonia

sodium cyanide

Downstream raw materials:

4-aminomethyl-1-methyl-piperidin-4-ylamine

N-acetylacetamide

4-amino-1-methyl-4-piperidinecarboxylic acid

methyl 4-amino-1-methyl-4-piperidinecarboxylate