N-ETHYL-1,1-D2-ANILINE

Base Information

• Chemical Name: N-ETHYL-1,1-D2-ANILINE
• CAS No.: 56805-03-9
• Molecular Formula: C8H9D2N
• Molecular Weight: 123.166
• Mol file: 56805-03-9.mol

Synonyms:N-(1,1-Dideuterio-ethyl)-aniline;

Chemical Property of N-ETHYL-1,1-D2-ANILINE

Chemical Property:

• PSA: 12.03000
• LogP: 2.19140

Purity/Quality:

99% ^*data from raw suppliers

N-ETHYL-1,1-D2-ANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of N-ETHYL-1,1-D2-ANILINE

There total 3 articles about N-ETHYL-1,1-D2-ANILINE 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%

Acetanilid (103-84-4) → N-ethyl<2H2>aniline (56805-03-9)

Guidance literature:

With lithium aluminium deuteride; In tetrahydrofuran; for 15h; Ambient temperature;

Reference yield: 82.0%

5-methyl-1-phenyl-1H-tetrazole (14213-16-2) → N-ethyl<2H2>aniline (56805-03-9)

Guidance literature:

With lithium aluminium deuteride; In diethyl ether; for 6h; Inert atmosphere; Reflux;

DOI:10.1021/acs.orglett.9b01842

Reference yield:

acetophenone (98-86-2) → N-ethyl<2H2>aniline (56805-03-9)

Guidance literature:

Multi-step reaction with 2 steps

1: titanium tetrachloride; sodium azide / Reflux

2: lithium aluminium deuteride / diethyl ether / 6 h / Inert atmosphere; Reflux

With sodium azide; lithium aluminium deuteride; titanium tetrachloride; In diethyl ether;

DOI:10.1021/acs.orglett.9b01842

upstream raw materials:

Acetanilid

acetophenone

5-methyl-1-phenyl-1H-tetrazole

Downstream raw materials:

benzamide-4-d

benzamide

N,N-di-α,α,α,α-tetradeuterio-ethylaniline

N-ethyl<²H2>acetanilide

Refernces

• 1、 Duchamp, Edouard,Simard, Benoit Deschênes,Hanessian, Stephen. "Reductive Fragmentation of Tetrazoles: Mechanistic Insights and Applications toward the Stereocontrolled Synthesis of 2,6-Polysubstituted Morpholines". . p. 6593 - 6596. Retrieved 2019/09/30.