Benzyl (S)-2-oxopiperidin-3-ylcarbamate

Base Information

• Chemical Name: Benzyl (S)-2-oxopiperidin-3-ylcarbamate
• CAS No.: 95582-17-5
• Molecular Formula: C13H16 N2 O3
• Molecular Weight: 248.282
• Hs Code.: 2933790090
• European Community (EC) Number: 832-967-7
• DSSTox Substance ID: DTXSID40467310
• Wikidata: Q82294224
• Mol file: 95582-17-5.mol

Synonyms:95582-17-5;(S)-3-Cbz-amino-2-piperidone;(S)-3-(Cbz-amino)-2-piperidone;Benzyl (S)-2-oxopiperidin-3-ylcarbamate;(S)-3-N-Cbz-Aminopiperidin-2-one;BENZYL N-[(3S)-2-OXOPIPERIDIN-3-YL]CARBAMATE;(S)-Benzyl (2-oxopiperidin-3-yl)carbamate;(S)-3-benzyloxycarbonylamino-2-piperidone;MFCD08166408;(S)-benzyl 2-oxopiperidin-3-ylcarbamate;Carbamic acid, [(3S)-2-oxo-3-piperidinyl]-, phenylmethyl ester;SCHEMBL4078569;DTXSID40467310;(S)-3-Cbz-aminopiperidin-2-one;KVHNKJHAXXEKFU-NSHDSACASA-N;(S)-(2-OXO-PIPERIDIN-3-YL)-CARBAMIC ACID BENZYL ESTER;AMY10151;VDA58217;AKOS015918106;AS-37240;(3S)-3-benzyloxycarbonylamino-2-piperidone;Benzyl [(3S)-2-oxopiperidin-3-yl]carbamate;benzyl N-[(3S)-2-oxo-3-piperidyl]carbamate;Benzyl(S)-2-oxopiperidin-3-ylcarbamate 95%;EN300-6735227;A845337;W-205548;(phenylmethyl) N-[(3S)-2-oxidanylidenepiperidin-3-yl]carbamate;N-[(3S)-2-oxo-3-piperidinyl]carbamic acid (phenylmethyl) ester

Chemical Property of Benzyl (S)-2-oxopiperidin-3-ylcarbamate

Chemical Property:

• Vapor Pressure: 3.15E-10mmHg at 25°C
• Refractive Index: 1.568
• Boiling Point: 502.5°Cat760mmHg
• Flash Point: 257.7°C
• PSA: 67.43000
• Density: 1.22g/cm³
• LogP: 1.91110
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 248.11609238
• Heavy Atom Count: 18
• Complexity: 301

Purity/Quality:

97% ^*data from raw suppliers

(S)-Benzyl(2-oxopiperidin-3-yl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(=O)NC1)NC(=O)OCC2=CC=CC=C2
• Isomeric SMILES: C1C[C@@H](C(=O)NC1)NC(=O)OCC2=CC=CC=C2

Technology Process of Benzyl (S)-2-oxopiperidin-3-ylcarbamate

There total 12 articles about Benzyl (S)-2-oxopiperidin-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: 93.0%

C13H17N2O4(1-)*K(1+) → (S)-3-[[(phenylmethoxy)carbonyl]amino]-2-oxopiperidine (95582-17-5)

Guidance literature:

With 4-methyl-morpholine; bis(trichloromethyl) carbonate; potassium hydroxide; In water; acetonitrile; at 20 ℃; for 0.00277778h; Reagent/catalyst; Temperature; Inert atmosphere;

DOI:10.1002/chem.202100059

Reference yield: 41.0%

L-ornithine hydrochloride (36630-89-4) + benzyl chloroformate (501-53-1,94274-21-2) → (S)-3-[[(phenylmethoxy)carbonyl]amino]-2-oxopiperidine (95582-17-5)

Guidance literature:

L-ornithine hydrochloride; With thionyl chloride; In methanol; at 0 - 20 ℃;

With sodium hydroxide; In water; for 4h; pH=8 - 9;

benzyl chloroformate; With sodium hydroxide; more than 3 stages;

Reference yield:

(S)-(-)-3-aminopiperidin-2-one (34294-79-6) + benzyl chloroformate (501-53-1,94274-21-2) → (S)-3-[[(phenylmethoxy)carbonyl]amino]-2-oxopiperidine (95582-17-5)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; at 20 ℃; for 18h;

DOI:10.1021/np030491b

upstream raw materials:

(S)-(-)-3-aminopiperidin-2-one

benzyl chloroformate

L-ornithine hydrochloride

methyl (S)-2,5-diaminopentanoate dihydrochloride

Downstream raw materials:

benzyl N-[(3S)-3-piperidyl]carbamate

(S)-3-[[(phenylmethoxy)carbonyl]amino]-2-oxopiperidineacetic acid, ethyl ester

(3S)-3-benzyloxycarbonylamino-1-bis(phenylamino)phosphinyl-2-piperidone

(3S)-3-benzyloxycarbonylamino-1-bis(4-methoxyphenylamino)phosphinyl-2-piperidone