tert-Butyl (1-benzhydrylazetidin-3-yl)(ethyl)carbamate

Base Information

• Chemical Name: tert-Butyl (1-benzhydrylazetidin-3-yl)(ethyl)carbamate
• CAS No.: 929716-70-1
• Molecular Formula: C₂₃H₃₀N₂O₂
• Molecular Weight: 366.503
• DSSTox Substance ID: DTXSID60703323
• Wikidata: Q82635448
• Mol file: 929716-70-1.mol

Synonyms:929716-70-1;tert-Butyl (1-benzhydrylazetidin-3-yl)(ethyl)carbamate;DTXSID60703323;AKOS025396590;A844408;tert-Butyl(1-benzhydrylazetidin-3-yl)(ethyl)carbamate;tert-Butyl [1-(diphenylmethyl)azetidin-3-yl]ethylcarbamate;tert-butyl N-[1-(diphenylmethyl)azetidin-3-yl]-N-ethyl-carbamate;tert-butyl N-[1-(diphenylmethyl)azetidin-3-yl]-N-ethylcarbamate;N-[1-(diphenylmethyl)-3-azetidinyl]-N-ethylcarbamic acid tert-butyl ester

Chemical Property of tert-Butyl (1-benzhydrylazetidin-3-yl)(ethyl)carbamate

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 366.230728204
• Heavy Atom Count: 27
• Complexity: 451

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(C1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

Technology Process of tert-Butyl (1-benzhydrylazetidin-3-yl)(ethyl)carbamate

There total 3 articles about tert-Butyl (1-benzhydrylazetidin-3-yl)(ethyl)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: 68.0%

tert-butyl (1-benzhydrylazetidin-3-yl)carbamate (91189-18-3) + ethyl iodide (75-03-6) → tert-butyl (1-benzhydrylazetidin-3-yl)(ethyl)carbamate (929716-70-1)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; for 36h;

Reference yield:

1-benzhydrylazetidin-3-ylamine (40432-52-8) → tert-butyl (1-benzhydrylazetidin-3-yl)(ethyl)carbamate (929716-70-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / tetrahydrofuran / 2 h / 0 - 20 °C / Inert atmosphere

2.1: sodium hydride / tetrahydrofuran / 0 °C / Inert atmosphere

2.2: 20 °C / Inert atmosphere

With sodium hydride; triethylamine; In tetrahydrofuran;

DOI:10.1021/acs.jmedchem.9b01462

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → tert-butyl (1-benzhydrylazetidin-3-yl)(ethyl)carbamate (929716-70-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / tetrahydrofuran / 2 h / 0 - 20 °C / Inert atmosphere

2.1: sodium hydride / tetrahydrofuran / 0 °C / Inert atmosphere

2.2: 20 °C / Inert atmosphere

With sodium hydride; triethylamine; In tetrahydrofuran;

DOI:10.1021/acs.jmedchem.9b01462

upstream raw materials:

tert-butyl (1-benzhydrylazetidin-3-yl)carbamate

ethyl iodide

1-benzhydrylazetidin-3-ylamine

di-tert-butyl dicarbonate