Methanol-13C

Base Information

• Chemical Name: Methanol-13C
• CAS No.: 14742-26-8
• Molecular Formula: CH4O
• Molecular Weight: 33.0312
• European Community (EC) Number: 628-724-8
• DSSTox Substance ID: DTXSID60933123
• Nikkaji Number: J749.758J
• Wikidata: Q82908924
• Mol file: 14742-26-8.mol

Synonyms:Methanol-13C;14742-26-8;(113C)methanol;METHANOL (13C, D4);Methanol 13C;(13C)Methanol;Methylalcohol(13C);(~13~C)Methanol;DTXSID60933123;Methanol-13C, 99 atom % 13C;MFCD00037595;AKOS015913218;CS-T-57589;Methanol-13C, 99 atom % 13C, <1% 18O

Chemical Property of Methanol-13C

Chemical Property:

• Melting Point: -98 °C(lit.)
• Refractive Index: n20/D 1.329(lit.)
• Boiling Point: 65.4 °C(lit.)
• Flash Point: 54 °F
• PSA: 20.23000
• Density: 0.815 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: 33.029569582
• Heavy Atom Count: 2
• Complexity: 2

Purity/Quality:

NLT 98% ^*data from raw suppliers

Methanol-13C ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CO
• Isomeric SMILES: [13CH3]O

Technology Process of Methanol-13C

There total 32 articles about Methanol-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: 80.0%

carbon dioxide (1111-72-4) → [13C]methanol (14742-26-8)

Guidance literature:

With lithium aluminium hydride; In various solvent(s); at 26.9 ℃;

DOI:10.1063/1.462279

Reference yield: 22.0%

carbon dioxide (1111-72-4) + dimethyl amine (124-40-3) → [13C]methanol (14742-26-8) + N,N-dimethylform-13C-amide (32488-43-0)

Guidance literature:

With potassium phosphate; carbonylhydrido(tetrahydroborato)[bis(2-diphenylphosphinoethyl)amino]ruthenium(II); hydrogen; In tetrahydrofuran; at 95 - 155 ℃; for 36h; under 37503.8 Torr; Time; Solvent; Catalytic behavior; Inert atmosphere; Sealed tube;

DOI:10.1021/ja511329m

Reference yield:

[13C]Carbon monoxide (1641-69-6) → [13C]methanol (14742-26-8) + (13C)-formic acid (1633-56-3) + carbon dioxide (124-38-9,18923-20-1) + [13C]-formaldehyde (3228-27-1,89277-65-6) + carbon dioxide (1111-72-4) + (13)CHO2 + (18)CO2 + 13C-carbon monoxide

Guidance literature:

With water; for 2h; Irradiation;

DOI:10.1002/anie.201901059

upstream raw materials:

[13C]-formaldehyde

carbon dioxide

<13CH3>N-methyl-N-nitrosourea

trifluorormethanesulfonic acid

Downstream raw materials:

para-toluidine-methyl-13C

¹³C₇-toluene

U-⁽¹³⁾C-naphthalene

N-cyclohexyl-N-(1,1-dimethoxy-⁽¹³⁾C₂-butan-2-yl)cyclohexanamine

Refernces

• 1、 Fayoumy et al.. "". . p. 433,434. Retrieved 1977.
• 2、 Kanega, Ryoichi,Onishi, Naoya,Tanaka, Shinji,Kishimoto, Haruo,Himeda, Yuichiro. "Catalytic Hydrogenation of CO2to Methanol Using Multinuclear Iridium Complexes in a Gas-Solid Phase Reaction". . p. 1570 - 1576. Retrieved 2021.
• 3、 Fr?hlich, J?rg,Berger, Stefan. "A mild synthesis of13C-methanol". . p. 2522 - 2524. Retrieved 2005.
• 4、 Gutter?d, Emil S.,Lazzarini, Andrea,Fjermestad, Torstein,Kaur, Gurpreet,Manzoli, Maela,Bordiga, Silvia,Svelle, Stian,Lillerud, Karl P.,Skúlason, Egill,?ien-?Degaard, Sigurd,Nova, Ainara,Olsbye, Unni. "Hydrogenation of CO2 to Methanol by Pt Nanoparticles Encapsulated in UiO-67: Deciphering the Role of the Metal-Organic Framework". . p. 999 - 1009. Retrieved 2020.
• 5、 Rezayee, Nomaan M.,Huff, Chelsea A.,Sanford, Melanie S.. "Tandem amine and ruthenium-catalyzed hydrogenation of CO2to methanol". . p. 1028 - 1031. Retrieved 2015.
• 6、 Meng, Aiyun,Wu, Shuang,Cheng, Bei,Yu, Jiaguo,Xu, Jingsan. "Hierarchical TiO2/Ni(OH)2 composite fibers with enhanced photocatalytic CO2 reduction performance". . p. 4729 - 4736. Retrieved 2018.
• 7、 Smythe, Nathan C.,Dixon, David A.,Garner, Edward B.,Rickard, Meredith M.,Mendéz, Mariano,Scott, Brian L.,Zelenay, Barbara,Sutton, Andrew D.. "Reduction of CO2 to methanol using aluminum ester FLPs". . p. 207 - 209. Retrieved 2015.
• 8、 Wu, Xiaoyong,Li, Yuan,Zhang, Gaoke,Chen, Hong,Li, Jun,Wang, Kai,Pan, Yang,Zhao, Yan,Sun, Yongfu,Xie, Yi. "Photocatalytic CO2 Conversion of M0.33WO3 Directly from the Air with High Selectivity: Insight into Full Spectrum-Induced Reaction Mechanism". . p. 5267 - 5274. Retrieved 2019.
• 9、 Hartadi, Yeusy,Widmann, Daniel,Behm, R. Jürgen. "Methanol synthesis: Via CO2 hydrogenation over a Au/ZnO catalyst: An isotope labelling study on the role of CO in the reaction process". . p. 10781 - 10791. Retrieved 2016.
• 10、 Dibenedetto, Angela,Stufano, Paolo,MacYk, Wojciech,Baran, Tomasz,Fragale, Carlo,Costa, Mirco,Aresta, Michele. "Hybrid technologies for an enhanced carbon recycling based on the enzymatic reduction of CO2 to methanol in water: Chemical and photochemical NADH regeneration". . p. 373 - 378. Retrieved 2012.