3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester
• CAS No.: 842112-53-2
• Molecular Formula: C₁₃H₂₀N₂O₃
• Molecular Weight: 252.313
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20349529
• ChEMBL ID: CHEMBL1360049
• Mol file: 842112-53-2.mol

Synonyms:842112-53-2;3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester;tert-butyl 3-(2-cyanoacetyl)piperidine-1-carboxylate;1-BOC-3-(CYANOACETYL)PIPERIDINE;3-(2-cyanoacetyl)piperidine-1-carboxylic acid tert-butyl ester;MLS000034477;3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tertbutyl ester;1-BOC-3-(2-CYANOACETYL)PIPERIDINE;1-Piperidinecarboxylicacid, 3-(2-cyanoacetyl)-, 1,1-dimethylethyl ester;tert-butyl 3-(cyanoacetyl)piperidine-1-carboxylate;CHEMBL1360049;SCHEMBL11931428;DTXSID20349529;HMS1705I18;HMS2320B17;MFCD05244560;AKOS015919447;PB24868;SMR000000719;CS-0055247;FT-0749243;P10315;SR-01000331481;SR-01000331481-1;tert-butyl3-(2-cyanoacetyl)piperidine-1-carboxylate;W-203905

Chemical Property of 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester

Chemical Property:

• PSA: 70.40000
• LogP: 2.05418
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 252.14739250
• Heavy Atom Count: 18
• Complexity: 375

Purity/Quality:

98%Min ^*data from raw suppliers

1-Boc-3-(cyanoacetyl)piperidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(C1)C(=O)CC#N

Technology Process of 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester

There total 1 articles about 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester 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-(1-tert-butyloxycarbonyl-3-piperidinocarbonyl)imidazole (1026919-54-9) + acetonitrile (75-05-8,26809-02-9) → C13H20N2O3 (842112-53-2)

Guidance literature:

1-(1-tert-butyloxycarbonyl-3-piperidinocarbonyl)imidazole; acetonitrile; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 1h;

1-(1-tert-butyloxycarbonyl-3-piperidinocarbonyl)imidazole; In tetrahydrofuran; at -78 - 25 ℃; for 16.1667h;

upstream raw materials:

1-(1-tert-butyloxycarbonyl-3-piperidinocarbonyl)imidazole

acetonitrile

Refernces