Tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate
• CAS No.: 544696-01-7
• Molecular Formula: C12H22N2O3
• Molecular Weight: 242.31500
• Hs Code.: 2933399090
• European Community (EC) Number: 674-075-9
• DSSTox Substance ID: DTXSID20373783
• Wikidata: Q82162111
• Mol file: 544696-01-7.mol

Synonyms:tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;544696-01-7;1-tert-Butoxycarbonylpiperidine-4-carboxylic acid methyl amide;1-tert-butoxycarbonylpiperidine-4-carboxylic acidmethyl amide;SCHEMBL1245452;DTXSID20373783;WPKSHDLVXHJHKV-UHFFFAOYSA-N;4-methylcarbamoyl-piperidine-1-carboxylic acid tert-butyl ester;1-Boc-4-(methylcarbamoyl)piperidine;MFCD06411659;AKOS000164229;CS-0154471;EN300-43476;D83057;tert-butyl4-(methylcarbamoyl)piperidine-1-carboxylate;Z100643578;tert-butyl 4-[(methylamino)carbonyl]piperidine-1-carboxylate

Chemical Property of Tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate

Chemical Property:

• Melting Point: 98-100°C
• PSA: 58.64000
• LogP: 1.70830
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 242.16304257
• Heavy Atom Count: 17
• Complexity: 289

Purity/Quality:

98%min ^*data from raw suppliers

1-tert-Butoxycarbonylpiperidine-4-carboxylicacidmethylamide 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)N1CCC(CC1)C(=O)NC

Technology Process of Tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate

There total 4 articles about Tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate 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: 92.0%

N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid (84358-13-4,174286-31-8) + methylamine (74-89-5) → tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate (544696-01-7)

Guidance literature:

N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid; With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine; In tetrahydrofuran; at 20 ℃; for 1h;

methylamine; With triethylamine; In tetrahydrofuran; for 48h;

Reference yield: 86.0%

→ tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate (544696-01-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

Reference yield: 33.0%

methylamine hydrochloride (593-51-1) + N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid (84358-13-4,174286-31-8) → tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate (544696-01-7)

Guidance literature:

N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid; With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; for 0.0833333h;

methylamine hydrochloride; In N,N-dimethyl-formamide; for 16h;

upstream raw materials:

methylamine

N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

methylamine hydrochloride

Downstream raw materials:

4-[(methylamino)methyl]piperidine-1-carboxylic acid tert-butyl ester

piperidine-4-carboxylic acid methylamide