Dideuterio-hydroxy-methane

Base Information

• Chemical Name: Dideuterio-hydroxy-methane
• CAS No.: 28563-35-1
• Molecular Formula: CH2 D2 O
• Molecular Weight: 34.0263
• European Community (EC) Number: 693-197-3
• Nikkaji Number: J540.215H
• Wikidata: Q82994523
• Mol file: 28563-35-1.mol

Synonyms:Methan-d2-ol;dideuterio-hydroxy-methane;28563-35-1;dideuteriomethanol;METHANOL (D2);Dideutero-methanol;Methan-d2-ol, 98 atom % D;F91129;J-017127

Chemical Property of Dideuterio-hydroxy-methane

Chemical Property:

• Melting Point: -98 °C(lit.)
• Refractive Index: n20/D 1.326(lit.)
• Boiling Point: 65.4 °C(lit.)
• Flash Point: 52 °F
• PSA: 20.23000
• Density: 0.838 g/mL at 25 °C
• LogP: -0.39150
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 34.038768239
• Heavy Atom Count: 2
• Complexity: 2

Purity/Quality:

98% ^*data from raw suppliers

Methanol-d2 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 11-23/25
• Safety Statements: 7-16-24-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CO
• Isomeric SMILES: [2H]C([2H])O
• Uses: Methanol-d2 is an isotope labelled version of Methanol (M276585). Methanol (M276585) is a common chemical reagent in organic synthesis participating in a variety of reactions. Methanol is a bioactive component with antimicrobial activities.

Technology Process of Dideuterio-hydroxy-methane

There total 2 articles about Dideuterio-hydroxy-methane 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:

propyl methanoate (110-74-7) → propan-1-ol (71-23-8) + C,C-dideuterio-methanol (28563-35-1)

Guidance literature:

With lithium aluminium deuteride; In diethyl ether; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

Reference yield:

paraformaldehyde-d2 (1664-98-8,43094-80-0) → 1,1,1-trideuteromethanol (1849-29-2) + C,C-dideuterio-methanol (28563-35-1)

Guidance literature:

With potato tissue; In water-d2; at 37 ℃; Product distribution; effect of potato tissue;

DOI:10.1016/S0031-9422(00)81210-8

Reference yield: 82.0%

C,C-dideuterio-methanol (28563-35-1) → dideuteroiodomethane (865-43-0)

Guidance literature:

With hydrogen iodide; at 50 - 85 ℃; for 5.5h;

DOI:10.1021/jo00067a037

upstream raw materials:

paraformaldehyde-d2

propyl methanoate

Downstream raw materials:

dideuteroiodomethane

Refernces

• 1、 Hartge, Ulrich,Schrumpf, Gerd. "Conformational Equilibria of Pentane, Hexane, and Heptane". . p. 2501 - 2517. Retrieved 2007/10/02.