Methyl (2H)formate

Base Information

• Chemical Name: Methyl (2H)formate
• CAS No.: 23731-38-6
• Molecular Formula: C2H3 D O2
• Molecular Weight: 61.0446
• Hs Code.: 28459010
• European Community (EC) Number: 245-848-4
• DSSTox Substance ID: DTXSID30178408
• Nikkaji Number: J242.657I
• Wikidata: Q83048796
• Mol file: 23731-38-6.mol

Synonyms:Methyl formate-d;Methyl (2H)formate;23731-38-6;methyl deuterioformate;EINECS 245-848-4;d1-methyl formate;Methyl Formate-d1;DTXSID30178408;Methyl formate-d, 99 atom % D;CS-C-00051;D99666;J-015195

Chemical Property of Methyl (2H)formate

Chemical Property:

• Vapor Pressure: 9.34 psi ( 20 °C)
• Melting Point: -100 °C(lit.)
• Refractive Index: n20/D 1.3435(lit.)
• Boiling Point: 26°Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: 0.92g/cm³
• LogP: 0.42510
• Storage Temp.: Flammables area
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 61.027406112
• Heavy Atom Count: 4
• Complexity: 18

Purity/Quality:

99% ^*data from raw suppliers

Methyl Formate-d ^*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: [2H]C(=O)OC

Technology Process of Methyl (2H)formate

There total 5 articles about Methyl (2H)formate 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) + paraformaldehyde-d2 (1664-98-8,43094-80-0) → Methyl formate (107-31-3) + methyl deuterioformate (23731-38-6)

Guidance literature:

With titanium(IV) oxide; at -73.16 ℃; for 0.0833333h; Photolysis; UV-irradiation;

DOI:10.1021/ja3106797

Reference yield:

potassium deuteroformate (57444-81-2) + dimethyl sulfate (77-78-1) → methyl deuterioformate (23731-38-6)

Guidance literature:

at 100 - 150 ℃;

DOI:10.1021/ja00329a045

Reference yield:

methanol (67-56-1) + dideuterioformic acid (920-42-3) → methyl deuterioformate (23731-38-6)

Guidance literature:

With calcium chloride; at 60 - 65 ℃;

DOI:10.1021/jo061475x

upstream raw materials:

methanol

deuterated formic acid

potassium deuteroformate

dimethyl sulfate

Downstream raw materials:

d1-N,N-dimethylformamide

C₁₂H₁₁⁽²⁾HNO₄^(1-)*Na⁽¹⁺⁾

formamide-d1

N-methylformamide-1-d

Refernces

• 1、 Bagno, Alessandro,Kantlehner, Willi,Kress, Ralf,Saielli, Giacomo,Stoyanov, Edmont. "Fries rearrangement of aryl formates: A mechanistic study by means of 1H, 2H, and 11B NMR spectroscopy and DFT calculations". . p. 9331 - 9340. Retrieved 2006.
• 2、 Phillips, Katherine R.,Jensen, Stephen C.,Baron, Martin,Li, Shao-Chun,Friend, Cynthia M.. "Sequential photo-oxidation of methanol to methyl formate on TiO 2(110)". supporting information. p. 574 - 577. Retrieved 2013/03/14.