benzyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate

Base Information

• Chemical Name: benzyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate
• CAS No.: 160706-61-6
• Molecular Formula: C14H19NO3
• Molecular Weight: 249.30556
• DSSTox Substance ID: DTXSID10426136
• Wikidata: Q82239103
• Mol file: 160706-61-6.mol

Synonyms:160706-61-6;(R)-1-CBZ-3-(HYDROXYMETHYL)PIPERIDINE;benzyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate;(R)-BENZYL 3-(HYDROXYMETHYL)PIPERIDINE-1-CARBOXYLATE;SBB066854;SCHEMBL3272711;R-1-CBZ-piperidin-3-methanol;DTXSID10426136;MFCD17019494;1-Piperidinecarboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester, (3R)-;AKOS015897972;AS-41658;CS-0049892;EN300-7409739;(3R)-3-Hydroxymethyl-piperidine-1-carboxylic acid benzyl ester

Chemical Property of benzyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate

Chemical Property:

• PSA: 49.77000
• LogP: 1.96540
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 249.13649347
• Heavy Atom Count: 18
• Complexity: 264

Purity/Quality:

97% ^*data from raw suppliers

(R)-Benzyl3-(Hydroxymethyl)piperidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)CO
• Isomeric SMILES: C1C[C@H](CN(C1)C(=O)OCC2=CC=CC=C2)CO

Technology Process of benzyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate

There total 15 articles about benzyl (3R)-3-(hydroxymethyl)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: 99.58%

→ N-Cbz-3-hydroxymethylpiperidine (405061-52-1,160706-61-6)

Guidance literature:

Reference yield: 99.16%

→ (R)-N-Cbz-3-hydroxymethylpiperidine (160706-61-6)

Guidance literature:

Reference yield: 96.0%

3-(hydroxymethy)piperidine (4606-65-9) + benzyl chloroformate (501-53-1,94274-21-2) → benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate (39945-51-2,160706-61-6)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; Cooling;

DOI:10.1016/j.bmc.2011.08.054

upstream raw materials:

3-(hydroxymethy)piperidine

benzyl chloroformate

2-benzyloxycarbonylsulfanyl-4,6-dimethyl-pyrimidine

(R)-N-Cbz-ethyl nipecotate

Downstream raw materials:

3-(1H-imidazol-5-yl)piperidine

tert-butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate