Trimethyl-d9-amine

Base Information

• Chemical Name: Trimethyl-d9-amine
• CAS No.: 13960-80-0
• Molecular Formula: C3D9N
• Molecular Weight: 68.0397
• European Community (EC) Number: 625-416-5
• Nikkaji Number: J515.010H
• Mol file: 13960-80-0.mol

Synonyms:Trimethyl-d9-amine;13960-80-0;1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methanamine;Methan-d3-amine,N,N-di(methyl-d3)-(9ci);Trimethyl-d9-amine, 99 atom % D;AKOS015910712;D99547;Trimethyl-d9-amine-15N hydrochloride, 99 atom % D, 98 atom % 15N

Chemical Property of Trimethyl-d9-amine

Chemical Property:

• Vapor Pressure: 13.3 psi ( 21 °C)
• Melting Point: 117 °C(lit.)
• Refractive Index: 1.378
• Boiling Point: 2.8 °C at 760 mmHg
• Flash Point: 20 °F
• PSA: 3.24000
• Density: 0.799 g/cm³
• LogP: 0.17780
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 68.129990005
• Heavy Atom Count: 4
• Complexity: 8

Purity/Quality:

99% ^*data from raw suppliers

Trimethyl-d9-amine 99 atom % D ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F+;Xi;Xn
• Hazard Codes: F+,Xn,Xi,C
• Statements: 12-20-37/38-41-36/37/38-34-20/22
• Safety Statements: 16-26-29-36-45-36/37/39-3

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C
• Isomeric SMILES: [2H]C([2H])([2H])N(C([2H])([2H])[2H])C([2H])([2H])[2H]

Technology Process of Trimethyl-d9-amine

There total 3 articles about Trimethyl-d9-amine 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:

C3(2)H9N*Cl(2)H (107766-37-0) → trimethylamine-d9 (13960-80-0)

Guidance literature:

With sodium hydroxide; In water; at 0 ℃;

DOI:10.1016/j.bmc.2015.05.014

Reference yield:

formic acid (64-18-6) + paraformaldehyde-d2 (1664-98-8,43094-80-0) + dideuterioformic acid (920-42-3) → trimethylamine-d8 (35434-71-0) + trimethylamine-d9 (13960-80-0)

Guidance literature:

at 96 ℃; for 22h;

DOI:10.1021/ja803084w

Reference yield:

→ trimethylamine-d9 (13960-80-0)

Guidance literature:

DOI:10.1139/v68-061 DOI:10.1021/jo01348a523

upstream raw materials:

formic acid

paraformaldehyde-d2

dideuterioformic acid

C₃⁽²⁾H₉N*Cl⁽²⁾H

Downstream raw materials:

1-hexadecanaminium-N,N,N-trimethyl-d9 bromide

C₁₉⁽²⁾H₄₂N⁽¹⁺⁾*Br^(1-)

tert-butyl alcohol

Refernces

• 1、 Renaud,R.N.,Leitch,L.C.. "-". . p. 385 - 390. Retrieved 1968.
• 2、 Cui, Jin,Matsuoka, Shigeru,Kinoshita, Masanao,Matsumori, Nobuaki,Sato, Fuminori,Murata, Michio,Ando, Jun,Yamakoshi, Hiroyuki,Dodo, Kosuke,Sodeoka, Mikiko. "Novel Raman-tagged sphingomyelin that closely mimics original raft-forming behavior". supporting information. p. 2989 - 2994. Retrieved 2015/08/03.