(S)-benzyl piperidin-3-ylcarbamate

Base Information

• Chemical Name: (S)-benzyl piperidin-3-ylcarbamate
• CAS No.: 478646-33-2
• Molecular Formula: C13H18N2O2
• Molecular Weight: 234.298
• Hs Code.: 29333990
• European Community (EC) Number: 672-433-9
• DSSTox Substance ID: DTXSID90363797
• Wikidata: Q72442808
• Mol file: 478646-33-2.mol

Synonyms:478646-33-2;(S)-benzyl piperidin-3-ylcarbamate;(s)-3-n-cbz-aminopiperidine;benzyl N-[(3S)-piperidin-3-yl]carbamate;(S)-3-N-Cbz-Amino-piperidine;(S)-Piperidin-3-yl-carbamic acid benzyl ester;(s)-3-(cbz-amino)piperidine;benzyl (3S)-piperidin-3-ylcarbamate;MFCD03426377;(s)-3-cbz-aminopiperidine;SCHEMBL3295234;(s)-3-n-cbz-3-aminopiperidine;DTXSID90363797;benzyl(s)-piperidin-3-ylcarbamate;(S)-benzylpiperidin-3-ylcarbamate;benzyl (S)-piperidin-3-ylcarbamate;Benzyl (3S)-3-piperidinylcarbamate;AKOS015855403;(3S)-3-benzyloxycarbonylaminopiperidine;AM100866;AS-37282;(S)-3-N-cbz-amino-piperidine, AldrichCPR;CS-0049804;(S)-Piperidin-3-ylcarbamic acid benzyl ester

Chemical Property of (S)-benzyl piperidin-3-ylcarbamate

Chemical Property:

• Vapor Pressure: 1.73E-06mmHg at 25°C
• Refractive Index: 1.557
• Boiling Point: 396.3 °C at 760 mmHg
• PKA: 12.16±0.20(Predicted)
• Flash Point: 193.5 °C
• PSA: 50.36000
• Density: 1.13 g/cm³
• LogP: 2.38450
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 234.136827821
• Heavy Atom Count: 17
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

(S)-3-(Cbz-amino)piperidine ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CNC1)NC(=O)OCC2=CC=CC=C2
• Isomeric SMILES: C1C[C@@H](CNC1)NC(=O)OCC2=CC=CC=C2

Technology Process of (S)-benzyl piperidin-3-ylcarbamate

There total 4 articles about (S)-benzyl piperidin-3-ylcarbamate 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:

tert-butyl (3S)-3-aminopiperidine-1-carboxylate (625471-18-3) → benzyl N-[(3S)-3-piperidyl]carbamate (478646-33-2)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 1 h / 0 - 20 °C

2: hydrogenchloride / ethyl acetate / 1 h / 20 °C

With hydrogenchloride; triethylamine; In dichloromethane; ethyl acetate;

Reference yield:

tert-butyl (3S)-3-{[(benzyloxy)carbonyl]amino}piperidine-1-carboxylate (1002360-09-9) → benzyl N-[(3S)-3-piperidyl]carbamate (478646-33-2)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 20 ℃; for 1h;

Reference yield:

(S)-3-[[(phenylmethoxy)carbonyl]amino]-2-oxopiperidine (95582-17-5) → benzyl N-[(3S)-3-piperidyl]carbamate (478646-33-2)

Guidance literature:

With diisobutylaluminium hydride; In toluene; at -78 - 0 ℃; for 3h;

DOI:10.1016/j.bmc.2004.10.036

upstream raw materials:

(S)-3-[[(phenylmethoxy)carbonyl]amino]-2-oxopiperidine

benzyl chloroformate

tert-butyl (3S)-3-{[(benzyloxy)carbonyl]amino}piperidine-1-carboxylate

tert-butyl (3S)-3-aminopiperidine-1-carboxylate

Downstream raw materials:

7-[(3S)-3-benzyloxycarbonylaminopiperidin-1-yl]-2-tert-butyl-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile

benzyl [(3S)-1-(3-nitropyridin-4-yl)piperidin-3-yl]carbamate

benzyl [(3S)-1-(3-bromo-5-nitropyridin-4-yl)piperidin-3-yl]carbamate

benzyl [(3S)-1-(3-{[(3-{[(benzyloxy)carbonyl]amino}-6-fluoro-7-vinylquinolin-2-yl)carbonyl]amino}pyridin-4-yl)piperidin-3-yl]carbamate