tert-Butyl ((1-benzylpiperidin-4-yl)methyl)carbamate

Base Information

• Chemical Name: tert-Butyl ((1-benzylpiperidin-4-yl)methyl)carbamate
• CAS No.: 173340-23-3
• Molecular Formula: C18H28 N2 O2
• Molecular Weight: 304.433
• DSSTox Substance ID: DTXSID60384974
• Nikkaji Number: J3.306.899I
• Wikidata: Q82177474
• Mol file: 173340-23-3.mol

Synonyms:173340-23-3;tert-Butyl ((1-benzylpiperidin-4-yl)methyl)carbamate;tert-butyl N-[(1-benzyl-4-piperidinyl)methyl]carbamate;tert-butyl N-[(1-benzylpiperidin-4-yl)methyl]carbamate;tert-Butyl (1-benzylpiperidin-4-yl)methylcarbamate;tert-Butyl N-((1-benzyl-4-piperidinyl)methyl)carbamate;Maybridge3_004457;tert-Butyl [(1-benzylpiperidin-4-yl)methyl]carbamate;SCHEMBL3052457;DTXSID60384974;SOXSDIKJHXTJEP-UHFFFAOYSA-N;HMS1443K13;MFCD04123925;AKOS022181073;IDI1_015844;MS-22215;FT-0703891;A881778;SR-01000003836;1-benzyl-4-tertbutyloxycarbonylaminomethylpiperidine;SR-01000003836-1;tert-butyl((1-benzylpiperidin-4-yl)methyl)carbamate;(1-Benzyl-4-piperidinylmethyl)carbamic acid tert-butyl ester;(1-benzyl-piperidin-4-ylmethyl)-carbamic acid tert-butyl ester;(1-benzylpiperidin-4-yl)methylcarbamic acid tert-butyl ester

Chemical Property of tert-Butyl ((1-benzylpiperidin-4-yl)methyl)carbamate

Chemical Property:

• Vapor Pressure: 4.09E-07mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 415.5°Cat760mmHg
• Flash Point: 205.1°C
• PSA: 41.57000
• Density: 1.043g/cm³
• LogP: 3.75210
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 304.215078140
• Heavy Atom Count: 22
• Complexity: 338

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl((1-benzylpiperidin-4-yl)methyl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1CCN(CC1)CC2=CC=CC=C2

Technology Process of tert-Butyl ((1-benzylpiperidin-4-yl)methyl)carbamate

There total 6 articles about tert-Butyl ((1-benzylpiperidin-4-yl)methyl)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: 98.0%

benzaldehyde (100-52-7) + tert-butyl N-(4-piperidinylmethyl)carbamate (135632-53-0) → tert-butyl ((1-benzylpiperidin-4-yl)methyl)carbamate (173340-23-3)

Guidance literature:

With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; at 20 ℃; for 48h; Inert atmosphere;

DOI:10.1016/j.ejmech.2018.10.060

Reference yield: 53.0%

benzyl bromide (100-39-0) + tert-butyl N-(4-piperidinylmethyl)carbamate (135632-53-0) → tert-butyl ((1-benzylpiperidin-4-yl)methyl)carbamate (173340-23-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 40 ℃; for 1h;

DOI:10.1021/acs.jmedchem.0c01026

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 4-aminomethyl-1-benzylpiperidine (88915-26-8) → tert-butyl ((1-benzylpiperidin-4-yl)methyl)carbamate (173340-23-3)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 21h;

DOI:10.1016/j.tetlet.2014.02.034

upstream raw materials:

4-carboxamidopiperidine

benzoyl chloride

di-tert-butyl dicarbonate

4-aminomethyl-1-benzylpiperidine

Downstream raw materials:

tert-butyl N-(4-piperidinylmethyl)carbamate

4-aminomethyl-1-benzylpiperidine