tert-Butyl 3-(methylamino)piperidine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 3-(methylamino)piperidine-1-carboxylate
• CAS No.: 392331-89-4
• Molecular Formula: C11H22N2O2
• Molecular Weight: 214.308
• Hs Code.: 2933399090
• European Community (EC) Number: 686-899-6
• DSSTox Substance ID: DTXSID60590518
• Mol file: 392331-89-4.mol

Synonyms:392331-89-4;1-Boc-3-methylaminopiperidine;tert-Butyl 3-(methylamino)piperidine-1-carboxylate;1-Boc-3-methylaminopieridine;N-Boc-3-methylamino piperidine;1-Boc-3-(Methylamino)piperidine;1-N-Boc-3-Methylaminopiperidine;1-Boc-3-methykaminopiperidine;1-N-Boc-3-methylamino-piperidine;3-Methylamino-piperidine-1-carboxylic acid tert-butyl ester;MFCD04114980;N-Boc-3-methylaminopiperidine;MFCD09752963;SCHEMBL556321;DTXSID60590518;XRRRUOWSHGFPTI-UHFFFAOYSA-N;3-(Methylamino)piperidine-1-carboxylic acid tert-butyl ester;BCP27367;(R)-1-Boc-3-(methylamino)piperidine;AKOS005146253;4,4-(1,10-Decanediyl)dioxydianiline;AC-2179;AM90339;PB27647;PB28017;PS-3865;N-Boc-3-(methylamino)piperidine, 96%;SY020461;SY022205;DB-013810;A6575;CS-0001873;EN300-71905;Q-201451;(RS)-tert-butyl 3-(methylamino)piperidine-1-carboxylate;1-PIPERIDINECARBOXYLIC ACID,3-(METHYLAMINO)-,1,1-DIMETHYLETHYL ESTER

Chemical Property of tert-Butyl 3-(methylamino)piperidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.00226mmHg at 25°C
• Refractive Index: 1.485
• Boiling Point: 289 °C at 760 mmHg
• PKA: 10.10±0.20(Predicted)
• Flash Point: 128.6 °C
• PSA: 41.57000
• Density: 1.01 g/cm³
• LogP: 1.93410
• Storage Temp.: Room temperature.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.168127949
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Boc-3-methylaminopiperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N,T
• Statements: 36/37/38-50-25
• Safety Statements: 26-36/37/39-61-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(C1)NC
• Uses: Reactant for synthesis of:TRPV1 antagonistsAminopiperidines as iNOS inhibitors

Technology Process of tert-Butyl 3-(methylamino)piperidine-1-carboxylate

There total 6 articles about tert-Butyl 3-(methylamino)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: 100.0%

tert-butyl 3-(benzyl(methyl)amino)piperidine-1-carboxylate (1027345-51-2) → (RS)-tert-butyl 3-(methylamino)piperidine-1-carboxylate (392331-89-4)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃; for 24h; under 760.051 Torr;

Reference yield:

(RS)-tert-butyl 3-(((benzyloxy)carbonyl)(methyl)amino)piperidine-1-carboxylate (1365161-09-6) → (RS)-tert-butyl 3-(methylamino)piperidine-1-carboxylate (392331-89-4)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; under 760.051 Torr;

Reference yield:

C18H26N2O4 → (RS)-tert-butyl 3-(methylamino)piperidine-1-carboxylate (392331-89-4)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; under 760.051 Torr;

upstream raw materials:

(RS)-tert-butyl 3-(((benzyloxy)carbonyl)(methyl)amino)piperidine-1-carboxylate

tert-butyl 3-(benzyl(methyl)amino)piperidine-1-carboxylate

3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Downstream raw materials:

C₁₉H₂₆ClN₃O₂

C₃₂H₃₇F₆N₇O₂

Refernces

• 1、 -. "MONOCYCLIC OGA INHIBITOR COMPOUNDS". Page/Page column 58. . Retrieved 2018/07/05.
• 2、 Bourdonnec, Bertrand Le,Leister, Lara K.,Ajello, Christopher A.,Cassel, Joel A.,Seida, Pamela R.,O'Hare, Heather,Gu, Minghua,Chu, Guo-Hua,Tuthill, Paul A.,DeHaven, Robert N.,Dolle, Roland E.. "Discovery of a series of aminopiperidines as novel iNOS inhibitors". . p. 336 - 343. Retrieved 2008/09/18.