Methanol-13C-D4

Base Information

• Chemical Name: Methanol-13C-D4
• CAS No.: 32479-98-4
• Molecular Formula: CD4 O
• Molecular Weight: 36.9994
• Hs Code.: 28459000
• European Community (EC) Number: 693-164-3
• Nikkaji Number: J734.121K
• Mol file: 32479-98-4.mol

Synonyms:32479-98-4;METHANOL-13C-D4;Trideuterio(deuteriooxy)(113C)methane;Methanol-13C,d4;Methanol-13C, d4;Methyl-13C,d3 alcohol-d;MFCD00064285;Methanol-13C,d4, 99 atom % 13C, 99.5 atom % D

Chemical Property of Methanol-13C-D4

Chemical Property:

• Refractive Index: n20/D 1.3256(lit.)
• Boiling Point: 65.4 °C(lit.)
• Flash Point: 11 °C
• PSA: 20.23000
• Density: 0.915 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: 37.054676566
• Heavy Atom Count: 2
• Complexity: 2

Purity/Quality:

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

Methanol-13C, d4 ^*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][13C]([2H])([2H])O[2H]

Technology Process of Methanol-13C-D4

There total 2 articles about Methanol-13C-D4 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:

carbon dioxide (1111-72-4) → tetradeuterio-[13C]methane (2644-20-4) + [13C,2H4]methyl alcohol (32479-98-4) + [13C]Carbon monoxide (1641-69-6)

Guidance literature:

With deuterium; at 170 ℃; under 750.075 Torr; Reagent/catalyst; Catalytic behavior;

DOI:10.1021/jacs.9b10873

Reference yield:

[13C]Carbon monoxide (1641-69-6) → [13C,2H4]methyl alcohol (32479-98-4) + paraformaldehyde-13C-d2 (63101-50-8,43094-80-0,89277-65-6) + deuterio-[13C]formyl (75491-79-1) + carbon dioxide (1111-72-4) + (13)C(2)HO2 + (13)C(2)H2O2

Guidance literature:

With water; for 2h; Irradiation;

DOI:10.1002/anie.201901059

Reference yield: 85.0%

[13C,2H4]methyl alcohol (32479-98-4) → [13C2H3] methyl iodide (20710-47-8,207507-22-0)

Guidance literature:

With hydrogen iodide; In water; at 40 - 50 ℃; for 4h;

upstream raw materials:

[13C]Carbon monoxide

carbon dioxide

Downstream raw materials:

(-)-[4aS-(4aα,6β,8aR*)]-4a,5,9,10,11,12-hexahydro-3-[13CD3]-methoxy-11-methyl-6H-benzofuro[3a,3,2-e,f][2]-benzazepin-3,6-diol hydrobromide

[13C₂H₃] methyl iodide