ISOPHORONE (3-METHYL-D3, 2,4,4,6,6-D5)

Base Information

• Chemical Name: ISOPHORONE (3-METHYL-D3, 2,4,4,6,6-D5)
• CAS No.: 14397-59-2
• Molecular Formula: C9H6 D8 O
• Molecular Weight: 146.146
• Mol file: 14397-59-2.mol

Synonyms:ISOPHORONE (3-METHYL-D3, 2,4,4,6,6-D5);ISOPHORONE-D8;ISOPHORONE-D8 (2,4,4,6,6-D5, 3-METHYL-D3);(2,4,4,6,6-D5;3-methyl-D3) (3,5,5-Trimethyl-2-cyclohexen-1-one)

Chemical Property of ISOPHORONE (3-METHYL-D3, 2,4,4,6,6-D5)

Chemical Property:

• PSA: 17.07000
• LogP: 2.32180
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)

Purity/Quality:

98% ^*data from raw suppliers

Isophorone-d8(2,4,4,6,6-d5;3-methyl-d3) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Isophorone-d8 (2,4,4,6,6-d5; 3-methyl-d3) (CAS# 14397-59-2) is a useful isotopically labeled research compound.

Technology Process of ISOPHORONE (3-METHYL-D3, 2,4,4,6,6-D5)

There total 2 articles about ISOPHORONE (3-METHYL-D3, 2,4,4,6,6-D5) 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:

3,5,5-Trimethylcyclohex-2-en-1-one (78-59-1) → 2,4,4,6,6-Pentadeutero 3-trideuteromethyl 5,5-dimethyl 2-cyclohexen 1-one (14397-59-2,1262769-87-8)

Guidance literature:

With deuteriated sodium hydroxide; water; cetyltrimethylammonim bromide;

Reference yield:

→ 2,4,4,6,6-Pentadeutero 3-trideuteromethyl 5,5-dimethyl 2-cyclohexen 1-one (14397-59-2,1262769-87-8)

Guidance literature:

Isophoron, D2O/K2CO3;

DOI:10.1021/jo00945a008

Reference yield:

2,4,4,6,6-Pentadeutero 3-trideuteromethyl 5,5-dimethyl 2-cyclohexen 1-one (14397-59-2,1262769-87-8) + methyl-d3-magnesium iodide (41251-37-0) → C10H7(2)H11O

Guidance literature:

With copper(I) chloride;

upstream raw materials:

3,5,5-Trimethylcyclohex-2-en-1-one

Downstream raw materials:

C₉H₇⁽²⁾H₇

isophorone d8

Refernces