Methyl formate-13C

Base Information

• Chemical Name: Methyl formate-13C
• CAS No.: 92276-15-8
• Molecular Formula: C2H4 O2
• Molecular Weight: 61.0416
• European Community (EC) Number: 689-496-3
• DSSTox Substance ID: DTXSID10480753
• Wikidata: Q82315809
• Mol file: 92276-15-8.mol

Synonyms:Methyl formate-13C;92276-15-8;DTXSID10480753;AKOS015913320;Methyl formate-13c,99 atom % 13c;Methyl formate-13C, 99 atom % 13C

Chemical Property of Methyl formate-13C

Chemical Property:

• Melting Point: −100 °C(lit.)
• Refractive Index: n20/D 1.343(lit.)
• Boiling Point: 34 °C(lit.)
• Flash Point: −16 °F
• PSA: 26.30000
• Density: 0.990 g/mL at 25 °C
• LogP: 0.42510
• Storage Temp.: 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 61.024484201
• Heavy Atom Count: 4
• Complexity: 18

Purity/Quality:

99.90% ^*data from raw suppliers

Methyl formate-13C 99 atom % ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F+,Xn
• Statements: 12-36/37-20/22
• Safety Statements: 9-16-33-26-24

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC=O
• Isomeric SMILES: CO[13CH]=O

Technology Process of Methyl formate-13C

There total 4 articles about Methyl formate-13C 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:

methanol (67-56-1) + C(13)C5H12O6 → 13C1-methyl formate (92276-15-8)

Guidance literature:

With H₈[PMo₇V₅O₄₀]; oxygen; at 90 ℃; for 24h; under 15001.5 Torr; Autoclave;

DOI:10.1039/d0gc01169j

Reference yield:

methanol (67-56-1) + carbon dioxide (1111-72-4) → 13C1-methyl formate (92276-15-8)

Guidance literature:

In methanol; at 20 ℃; under 30400 Torr; electrolysis by using Cu working electrode, Pt counter electrode, Ag quasi-reference electrode, electrolyte: tetrabutylammonium tetrafluoroborate, current density: 200 mA cm^-2;

DOI:10.1021/j100020a083

Reference yield:

methanol (67-56-1) + carbon dioxide (1111-72-4) → [13C]methanol (14742-26-8) + 13C1-methyl formate (92276-15-8)

Guidance literature:

With cis-{Ru(O₂CMe)Cl(PMe₃)4}; carbonylhydrido[6-(di-tert-butylphosphinomethylene)-2-(N,N-diethylaminomethyl)-1,6-dihydropyridine]ruthenium(II); hydrogen; scandium tris(trifluoromethanesulfonate); In 1,4-dioxane; at 75 - 135 ℃; for 16h; Inert atmosphere;

DOI:10.1021/ja208760j

upstream raw materials:

methanol

carbon dioxide

Refernces

• 1、 Westhues, Niklas,Belleflamme, Maurice,Klankermayer, Jürgen. "Base-Free Hydrogenation of Carbon Dioxide to Methyl Formate with a Molecular Ruthenium-Phosphine Catalyst". . p. 5269 - 5274. Retrieved 2019/07/12.
• 2、 Saeki,Hashimoto,Fujishima,Kimura,Omata. "Electrochemical reduction of CO2 with high current density in a CO2-methanol medium". . p. 8440 - 8446. Retrieved 2007/10/02.