(113C)methanone

Base Information

• Chemical Name: (113C)methanone
• CAS No.: 3228-27-1
• Molecular Formula: CH2 O
• Molecular Weight: 31.0153
• European Community (EC) Number: 687-203-3
• Nikkaji Number: J1.329.219A,J567.154J
• Mol file: 3228-27-1.mol

Synonyms:3228-27-1;(113C)methanone;89277-65-6;FORMALDEHYDE (13C);PARAFORMALDEHYDE (13C);Formaldehyde-13C (20per cent by weight in water);Formaldehyde 13C;(13C)Formaldehyde;Paraformaldehyde 13C;AKOS015913115;CS-T-55015;CS-T-60157;J-018693

Chemical Property of (113C)methanone

Chemical Property:

• Vapor Pressure: 52 mm Hg ( 37 °C)
• Flash Point: >235 °F
• PSA: 17.07000
• LogP: 0.45100
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 31.013919518
• Heavy Atom Count: 2
• Complexity: 2

Purity/Quality:

99%, ^*data from raw suppliers

Formaldehyde-13C ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,C
• Statements: 20/21/22-36/37/38-40-43-68-34
• Safety Statements: 26-36/37-51-45-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=O
• Isomeric SMILES: [13CH2]=O

Technology Process of (113C)methanone

There total 15 articles about (113C)methanone 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:

phenylthio trifluoroacetyl [13C]methane → [13C]-formaldehyde (3228-27-1,89277-65-6)

Guidance literature:

With water; In dichloromethane; at 20 - 68 ℃; for 192h;

Reference yield:

[13C]methyl iodide (4227-95-6) → [13C]-formaldehyde (3228-27-1,89277-65-6)

Guidance literature:

With trimethylamine-N-oxide; In [D₃]acetonitrile; at 70 ℃; for 0.0333333h; Inert atmosphere; Sealed vessel;

DOI:10.1002/anie.200800991

Reference yield:

C36(13)CH46B2O2 → [13C]-formaldehyde (3228-27-1,89277-65-6)

Guidance literature:

With water; In tetrahydrofuran-d8; for 2h; Time; Inert atmosphere;

DOI:10.1021/jacs.1c07872

upstream raw materials:

⁽¹³⁾C₂H₄O₃

[13C₂]ethene

[13C]methyl iodide

[¹³C]methanol

Downstream raw materials:

dimethoxymethane-13C

3,3-bis(ethoxycarbonyl)-2-methylene<4-13C>-γ-butyrolactone

diethyl 3,5<13C>-dimethylpyrrole-2,4-dicarboxylate

C₁₉⁽¹³⁾CH₂₃NO₆

Refernces

• 1、 Serianni,A.S. et al.. "". . p. 79 - 91. Retrieved 1979.
• 2、 Eckhardt, André K.,Bergantini, Alexandre,Singh, Santosh K.,Schreiner, Peter R.,Kaiser, Ralf I.. "Formation of Glyoxylic Acid in Interstellar Ices: A Key Entry Point for Prebiotic Chemistry". supporting information. p. 5663 - 5667. Retrieved 2019/03/29.
• 3、 Maity, Surajit,Kaiser, Ralf I.,Jones, Brant M.. "Formation of complex organic molecules in methanol and methanol-carbon monoxide ices exposed to ionizing radiation - A combined FTIR and reflectron time-of-flight mass spectrometry study". . p. 3081 - 3114. Retrieved 2015/02/05.