1,3-PROPANE-D6-DIOL

Base Information

• Chemical Name: 1,3-PROPANE-D6-DIOL
• CAS No.: 284474-77-7
• Molecular Formula: C3H2 D6 O2
• Molecular Weight: 82.0477
• Mol file: 284474-77-7.mol

Synonyms:1,3-PROPANE-D6-DIOL

Chemical Property of 1,3-PROPANE-D6-DIOL

Chemical Property:

• Melting Point: -27 °C(lit.)
• Boiling Point: 214 °C(lit.)
• PSA: 40.46000
• Density: 1.107 g/mL at 25 °C
• LogP: -0.63890

Purity/Quality:

99%min ^*data from raw suppliers

1,3-Propanediol-d6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Isotope labelled 1,3-Propanediol, a common organic reagent used in the synthesis of polymers and used in industrial organic chemistry for the synthesis of lubricants, foods, medicines and cosmetics.

Technology Process of 1,3-PROPANE-D6-DIOL

There total 4 articles about 1,3-PROPANE-D6-DIOL 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: 71.0%

diethyl [2H2]malonate (4303-49-5) → [1,1,2,2,3,3‐D6]‐propanediol (284474-77-7)

Guidance literature:

With lithium aluminium deuteride; In tetrahydrofuran; at 50 ℃; Inert atmosphere;

DOI:10.1002/anie.201405147

Reference yield: 57.0%

2,2-dideuterio-malonic acid dimethyl ester (36647-07-1) → [1,1,2,2,3,3‐D6]‐propanediol (284474-77-7)

Guidance literature:

With deutero lithium aluminiumhydride; In tetrahydrofuran; at 0 - 35 ℃; Inert atmosphere;

Reference yield:

d2-malonic acid (83670-42-2) → [1,1,2,2,3,3‐D6]‐propanediol (284474-77-7)

Guidance literature:

With lithium aluminium deuteride; In tetrahydrofuran; Heating;

DOI:10.1021/jp040135h

upstream raw materials:

d₂-malonic acid

2,2-dideuterio-malonic acid dimethyl ester

diethyl [²H₂]malonate

Downstream raw materials:

[²H₆]-1,3-dibromopropane

3-bromopropanol-d₆

[1,1,2,2,3,3‐D₆]‐propane‐1,3‐diyl bis(4‐methylbenzenesulfonate)

Refernces

• 1、 Lafferty et al.. "". . p. 2799. Retrieved 1964.
• 2、 Zheng, Hongchao,Adduci, Laura L.,Felix, Ryan J.,Gagne, Michel R.. "Gold-catalyzed diastereoselective cycloisomerization of alkylidene-cyclopropane-bearing 1,6-diynes". supporting information. p. 7904 - 7907. Retrieved 2014/08/05.