TOLUENE-3,5-D2

Base Information

• Chemical Name: TOLUENE-3,5-D2
• CAS No.: 16954-38-4
• Molecular Formula: C7H6 D2
• Molecular Weight: 94.1246
• Mol file: 16954-38-4.mol

Synonyms:Toluene-3,5-d2(8CI)

Chemical Property of TOLUENE-3,5-D2

Chemical Property:

• PSA: 0.00000
• LogP: 1.99500

Purity/Quality:

98 atom % D ^*data from raw suppliers

Toluene-3,5-d2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Toluene-3,5-d2 (CAS# 16954-38-4) is a useful isotopically labeled research compound.

Technology Process of TOLUENE-3,5-D2

There total 6 articles about TOLUENE-3,5-D2 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:

toluene (108-88-3,15644-74-3,16713-13-6) → toluene-3,5-d2 (16954-38-4) + <3,4,5-2H3>toluene (57412-90-5)

Guidance literature:

With water-d2; [Ru(2,6-bis((di-t-Bu-phosphino)methyl)pyridine)(η²-H2)H2]; In cyclohexane; at 50 ℃; for 72h;

DOI:10.1002/anie.200603677

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → 2,3,4,5,6-pentadeuteriotoluene (1603-99-2) + toluene-3,5-d2 (16954-38-4)

Guidance literature:

(1,3-(2,6-(CD₃)2-4Me-C₆H₂)2-2-imidazolidinyl)Ru(D)2(D₂)2PCy₃; In benzene-d6; at 20 ℃; Title compound not separated from byproducts.;

DOI:10.1002/adsc.200303091

Reference yield:

3,5-dibromotoluene (1611-92-3) → toluene-3,5-d2 (16954-38-4)

Guidance literature:

With water-d2; magnesium; Multistep reaction;

DOI:10.1021/ja00330a042

upstream raw materials:

3,5-dibromotoluene

2,6-d₂-p-anisidine

toluene

Downstream raw materials:

[3,5-D₂]benzoic acid

2,6-dideuterio-4-methylphenol

2-deuterio-4-methylphenol

[²H]-o-cresol