(S)-tert-Butyl (1-benzylpiperidin-3-yl)carbamate

Base Information

• Chemical Name: (S)-tert-Butyl (1-benzylpiperidin-3-yl)carbamate
• CAS No.: 216854-24-9
• Molecular Formula: C₁₇H₂₆N₂O₂
• Molecular Weight: 290.406
• Hs Code.: 29333990
• DSSTox Substance ID: DTXSID10441541
• Wikidata: Q72440817
• Mol file: 216854-24-9.mol

Synonyms:216854-24-9;(S)-1-Benzyl-3-N-Boc-aminopiperidine;(S)-tert-Butyl (1-benzylpiperidin-3-yl)carbamate;(S)-tert-butyl 1-benzylpiperidin-3-ylcarbamate;TERT-BUTYL N-[(3S)-1-BENZYLPIPERIDIN-3-YL]CARBAMATE;(s)-(1-benzyl-piperidin-3-yl)-carbamic acid tert-butyl ester;MFCD07369847;(s)-1-benzyl-3-boc-amino-piperidine;(S)-tert-Butyl(1-benzylpiperidin-3-yl)carbamate;SCHEMBL6128768;DTXSID10441541;IJLXSEZUQISPRL-HNNXBMFYSA-N;AKOS005146084;AKOS015841386;AC-9159;(s)-1-benzyl-3-n-boc-amino-piperidine;DS-13376;CS-0069675;Q-103029;(R)-tert-butyl 1-benzylpiperidin-3-ylcarbamate;(S)-1-BENZYL-3-N-BOC-AMINOPIPERIDINE

Chemical Property of (S)-tert-Butyl (1-benzylpiperidin-3-yl)carbamate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.542
• Boiling Point: 400.862°C at 760 mmHg
• PKA: 12.31±0.20(Predicted)
• Flash Point: 196.235°C
• PSA: 41.57000
• Density: 1.076g/cm³
• LogP: 3.50450
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 290.199428076
• Heavy Atom Count: 21
• Complexity: 332

Purity/Quality:

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

(S)-tert-Butyl 1-benzylpiperidin-3-ylcarbamate 95% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1CCCN(C1)CC2=CC=CC=C2
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H]1CCCN(C1)CC2=CC=CC=C2

Technology Process of (S)-tert-Butyl (1-benzylpiperidin-3-yl)carbamate

There total 40 articles about (S)-tert-Butyl (1-benzylpiperidin-3-yl)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: 97.0%

di-tert-butyl dicarbonate (24424-99-5) + (3R)-1-benzyl-3-aminopiperidine (168466-84-0) → tert-butyl (R)-(+)-(N-benzylpiperidin-3-yl)carbamate (454713-13-4,216854-24-9)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 2h;

Reference yield: 95.0%

2-((tert-butoxycarbonyl)amino)penta-1,5-diyl dimesylate + benzylamine (100-46-9) → (1-benzylpiperidin-3-yl)carbamic acid tert-butyl ester (478828-62-5,216854-24-9)

Guidance literature:

In dichloromethane; at 45 ℃;

Reference yield: 95.0%

di-tert-butyl dicarbonate (24424-99-5) + 1-phenylmethyl-3-aminopiperidine (60407-35-4) → (1-benzylpiperidin-3-yl)carbamic acid tert-butyl ester (478828-62-5,216854-24-9)

Guidance literature:

With lanthanum(III) nitrate; at 20 ℃; for 0.05h;

DOI:10.1016/j.tetlet.2006.09.081

upstream raw materials:

benzylamine

(S)-2-(tert-butoxycarbonylamino)pentane-1,5-diyl dimethanesulfonate

L-glutamic acid

L-glutamic acid dimethyl ester

Refernces

• 1、 -. "Synthetic process of anti-hyperglycemic drug intermediate R-3-amino-piperidine dihydrochloride". Paragraph 0064-0067. . Retrieved 2019/11/12.
• 2、 -. "JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF". Paragraph 0271-0278. . Retrieved 2018/06/07.