Methanol-d3

Base Information

• Chemical Name: Methanol-d3
• CAS No.: 1849-29-2
• Molecular Formula: CHD3O
• Molecular Weight: 35.0183
• Hs Code.: 28459000
• European Community (EC) Number: 217-435-9
• DSSTox Substance ID: DTXSID60171669
• Nikkaji Number: J199.664I
• Wikidata: Q83041789,Q83101314
• Mol file: 1849-29-2.mol

Synonyms:Methanol-d3;1849-29-2;trideuteriomethanol;(2H3)Methanol;Methan-d3-ol;EINECS 217-435-9;Methyl-d3 alcohol;Methan-d3-ol(6CI,7CI,8CI,9CI);MFCD00055877;METHANOL D3;CD3OH;CHD3O;Methanol D3 >99.8%;(1,1,1-2H3)Methanol;C-H-D3-O;DTXSID60171669;Methanol-d3, 99.8 atom % D;CS-R-00471

Chemical Property of Methanol-d3

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 265mmHg at 25°C
• Melting Point: 174-177 °C
• Refractive Index: n20/D 1.327(lit.)
• Boiling Point: 48.1 °C at 760 mmHg
• Flash Point: 11.1 °C
• PSA: 20.23000
• Density: 0.824 g/cm³
• LogP: -0.39150
• Storage Temp.: Flammables area
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 35.045044985
• Heavy Atom Count: 2
• Complexity: 2

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methanol-d3 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-23/25-39/23/24/25-23/24/25
• Safety Statements: 7-16-24-45-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CO
• Isomeric SMILES: [2H]C([2H])([2H])O
• Uses: Methanol-d3 may be used in the preparation of [Al(CH3)2OCD3]3 by reacting with trimethylaluminum for use in spectroscopic analysis of dialkylaluminum alkoxides and the trialkylaluminum-ether complex.

Technology Process of Methanol-d3

There total 20 articles about Methanol-d3 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: 99.0%

methyl-d3 2-methylpropanoate (54526-87-3) → 1,1,1-trideuteromethanol (1849-29-2) + isobutyric Acid (79-31-2)

Guidance literature:

With water; ion exchange resin; Product distribution / selectivity;

Reference yield:

4,4,5,5-tetramethyl-1,3-dioxolan-2-one (19424-29-4) → 2,3-dimethyl-2,3-butane diol (76-09-5) + 1,1,1-trideuteromethanol (1849-29-2)

Guidance literature:

With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; deuterium; In tetrahydrofuran; at 140 ℃; for 24h; under 38002.6 Torr; Reagent/catalyst; Autoclave;

DOI:10.1002/anie.201207781

Reference yield:

methyl-d3 2-methylpropanoate (54526-87-3) → 1,1,1-trideuteromethanol (1849-29-2)

Guidance literature:

With water; strong acid ion exchange resin catalyst;

upstream raw materials:

1,2-propylene cyclic carbonate

d⁽⁴⁾-methanol

methanol

methoxide-d3 anion

Downstream raw materials:

d6-dimethyl sulfate

Trideutero-methylbromid

iodomethane-d3

d⁽⁴⁾-methanol

Refernces

• 1、 Dedronault et al.. "". . p. 773. Retrieved 1979.
• 2、 Edgell,Parts. "-". . . Retrieved 1958.
• 3、 Han, Zhaobin,Rong, Liangce,Wu, Jiang,Zhang, Lei,Wang, Zheng,Ding, Kuiling. "Catalytic hydrogenation of cyclic carbonates: A practical approach from CO2 and epoxides to methanol and diols". supporting information. p. 13041 - 13045. Retrieved 2013/03/13.
• 4、 -. "MANUFACTURING METHOD OF DEUTERATED METHYL METHACRYLATE". Page/Page column 9. . Retrieved 2010/02/11.