(S)-tert-Butyl (piperidin-2-ylmethyl)carbamate

Base Information

• Chemical Name: (S)-tert-Butyl (piperidin-2-ylmethyl)carbamate
• CAS No.: 139004-93-6
• Molecular Formula: C11H22N2O2
• Molecular Weight: 214.308
• Hs Code.: 2933399990
• European Community (EC) Number: 856-766-9
• DSSTox Substance ID: DTXSID401203087
• Mol file: 139004-93-6.mol

Synonyms:139004-93-6;(S)-tert-Butyl (piperidin-2-ylmethyl)carbamate;tert-butyl N-[[(2S)-piperidin-2-yl]methyl]carbamate;CARBAMIC ACID, (2-PIPERIDINYLMETHYL)-, 1,1-DIMETHYLETHYL ESTER, (S)-;tert-butyl N-{[(2S)-piperidin-2-yl]methyl}carbamate;tert-butyl N-[(2S)-piperidin-2-ylmethyl]carbamate;(S)-tert-Butyl(piperidin-2-ylmethyl)carbamate;SCHEMBL1062309;(S)-piperidin-2-ylmethyl-carbamic acid tert-butyl ester;DTXSID401203087;MFCD11975335;AKOS016843419;CS-W006924;(S)-2-Boc-aminomethyl-piperidine, >=95%;(S)-t-Butyl (piperidin-2-ylmethyl)carbamate;EN300-374204;A807469;(S)-1-piperidin-2-ylmethyl-carbamic acid tert butyl ester;(S)-1-piperidin-2-ylmethyl-carbamic acid tert-butyl ester;1,1-Dimethylethyl N-[(2S)-2-piperidinylmethyl]carbamate;Carbamic acid, N-[(2S)-2-piperidinylmethyl]-, 1,1-dimethylethyl ester;Carbamic acid, N-[(2S)-2-piperidinylmethyl]-1,1-dimethylethyl ester

Chemical Property of (S)-tert-Butyl (piperidin-2-ylmethyl)carbamate

Chemical Property:

• Vapor Pressure: 0.00242mmHg at 25°C
• Refractive Index: 1.485
• Boiling Point: 287.9°C at 760 mmHg
• Flash Point: 127.9°C
• PSA: 50.36000
• Density: 1.01g/cm³
• LogP: 2.37290
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 214.168127949
• Heavy Atom Count: 15
• Complexity: 211

Purity/Quality:

97% ^*data from raw suppliers

(S)-tert-Butyl(piperidin-2-ylmethyl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1CCCCN1
• Isomeric SMILES: CC(C)(C)OC(=O)NC[C@@H]1CCCCN1
• Uses: Chiral building block developed using Liverpool ChiroChem-patented technology.

Technology Process of (S)-tert-Butyl (piperidin-2-ylmethyl)carbamate

There total 11 articles about (S)-tert-Butyl (piperidin-2-ylmethyl)carbamate 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: 87.0%

tert-butyl ({(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-yl}methyl)carbamate (248914-23-0) → (S)-tert-butyl (piperidin-2-ylmethyl)carbamate (139004-93-6)

Guidance literature:

tert-butyl ({(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-yl}methyl)carbamate; With hydrogen; acetic acid; palladium 10% on activated carbon; In tetrahydrofuran; at 40 ℃; for 21h; under 900.09 - 975.098 Torr;

With sodium hydroxide; In water; pH=> 10;

Reference yield:

((S)-1-Benzyl-piperidin-2-ylmethyl)-carbamic acid tert-butyl ester → (S)-tert-butyl (piperidin-2-ylmethyl)carbamate (139004-93-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; Yield given;

DOI:10.1016/0040-4039(91)80471-H

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → (S)-tert-butyl (piperidin-2-ylmethyl)carbamate (139004-93-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran

2: H₂ / 10percent Pd-C / methanol

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; methanol;

DOI:10.1016/0040-4039(91)80471-H

upstream raw materials:

tert-butyl ({(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-yl}methyl)carbamate

di-tert-butyl dicarbonate

(2R)-2-<(2S)-2-(aminomethyl)piperidin-1-yl>-2-phenylethanol

(S)-methyl pipecolinate hydrochloride

Downstream raw materials:

tert-butyl {[(2S)-1-(chloroacetyl)piperidin-2-yl]methyl}carbamate

(S)-octahydro-2H-pyrido[1,2-a]pyrazine

(S)-4-oxooctahydro-2H-pyrido[1,2-a]pyrazine

(S)-{1-[2-cyclopropyl-5-(2-fluoro-phenyl)-thiazole-4-carbonyl]-piperidin-2-ylmethyl}-carbamic acid tert-butyl ester