Iso-propyl-1,1,1,3,3,3-D6-amine

Base Information

• Chemical Name: Iso-propyl-1,1,1,3,3,3-D6-amine
• CAS No.: 55432-59-2
• Molecular Formula: C3H3 D6 N
• Molecular Weight: 65.0635
• European Community (EC) Number: 684-477-6
• Mol file: 55432-59-2.mol

Synonyms:55432-59-2;ISO-PROPYL-1,1,1,3,3,3-D6-AMINE;1,1,1,3,3,3-Hexadeuteriopropan-2-amine;Isopropyl-d6-amine;(1,1,1,3,3,3-?H?)propan-2-amine;D98622;Isopropyl-1,1,1,3,3,3-d6-amine, 99 atom % D

Chemical Property of Iso-propyl-1,1,1,3,3,3-D6-amine

Chemical Property:

• PSA: 26.02000
• LogP: 1.05380
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 65.111159767
• Heavy Atom Count: 4
• Complexity: 10.8

Purity/Quality:

99% ^*data from raw suppliers

Isopropyl-d6-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N
• Isomeric SMILES: [2H]C([2H])([2H])C(C([2H])([2H])[2H])N
• Uses: Isopropyl-d6-amine is the isotope labelled analogue of Isopropylamine, an organic compound is a widely used for the synthesis of pharmaceutical and agricultural goods such as glyphosphate herbicides and as an additive for petroleum industry.

Technology Process of Iso-propyl-1,1,1,3,3,3-D6-amine

There total 4 articles about Iso-propyl-1,1,1,3,3,3-D6-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: 75.2%

(1,3-d6)-isopropylamine hydrochloride (126794-59-0) → <(β,β,β,β',β',β'-D6)isopropyl>amine (55432-59-2)

Guidance literature:

With calcium oxide; at 20 ℃; for 4h;

DOI:10.1002/jlcr.3447

Reference yield:

d6-N-isopropylphthalimide (72878-20-7) → <(β,β,β,β',β',β'-D6)isopropyl>amine (55432-59-2)

Guidance literature:

With potassium hydroxide; at 300 ℃; Yield given;

Reference yield:

acetone oxime-d6 (41966-81-8) → <(β,β,β,β',β',β'-D6)isopropyl>amine (55432-59-2)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1002/oms.1210281037

upstream raw materials:

acetone oxime-d6

d6-N-isopropylphthalimide

(1,3-d6)-isopropylamine hydrochloride

Refernces

• 1、 Sun, Kai,Fang, Chao,Yang, Weicheng,Xu, Zhongjie,Wang, Haoran,Sun, Wen,Luo, Yong,Xu, Yi. "Efficient synthesis of D6-clenproperol and D6-cimaterol using deuterium isopropylamine as labelled precursor". . p. 552 - 556. Retrieved 2016/11/23.
• 2、 Raftery, Mark J.,Bowie, John H.. "The Collision-Induced Dissociations of Deprotonated Amines in the Gas Phase". . p. 1477 - 1489. Retrieved 2007/10/02.