Formic acid-13C

Base Information

• Chemical Name: Formic acid-13C
• CAS No.: 1633-56-3
• Molecular Formula: CH2 O2
• Molecular Weight: 47.0147
• European Community (EC) Number: 685-216-9
• DSSTox Substance ID: DTXSID30455640
• Nikkaji Number: J1.439.925I
• Wikidata: Q82277731
• Mol file: 1633-56-3.mol

Synonyms:Formic acid-13C;1633-56-3;hydroxyformaldehyde;FORMIC-13C ACID;Formic-13C acid (6CI,7CI,8CI,9CI);Formic Acid 13C;(13C)Formic acid;DTXSID30455640;AKOS030241917;CS-T-55021;J-010037;Formic acid-13C, 95 wt. % in H2O, 99 atom % 13C

Chemical Property of Formic acid-13C

Chemical Property:

• Melting Point: 8.2-8.4 °C(lit.)
• Refractive Index: 1.342
• Boiling Point: 100.8 °C(lit.)
• Flash Point: 124 °F
• PSA: 37.30000
• Density: 1.246 g/mL at 25 °C
• LogP: 0.33670
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 47.008834138
• Heavy Atom Count: 3
• Complexity: 10.3

Purity/Quality:

97% ^*data from raw suppliers

Formic acid-13C ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 35
• Safety Statements: 23-26-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)O
• Isomeric SMILES: [13CH](=O)O
• Uses: (Formic acid-13C) Labelled Formic Acid is used to improve NMR profiling of amino metabolites in biofluids.

Technology Process of Formic acid-13C

There total 31 articles about Formic acid-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: 24.0%

carbon dioxide (1111-72-4) → (13C)-formic acid (1633-56-3)

Guidance literature:

With 1,2-dimethyl-1,1,2,2-tetraphenyldisilane; tetrabutyl ammonium fluoride; water; In dimethyl sulfoxide; at 80 ℃; for 2h;

DOI:10.1016/S1872-2067(17)62800-6

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

Reference yield:

(13)C2H4O3 (82138-16-7) → (13C)-formic acid (1633-56-3) + [13C]-formaldehyde (3228-27-1,89277-65-6) + (13)CH2O2*(13)CH2O

Guidance literature:

at 140 ℃; for 0.333333h; Product distribution; irradiation;

DOI:10.1021/j100213a019

upstream raw materials:

[13C]-formaldehyde

⁽¹³⁾C₂H₄O₃

[13C]Carbon monoxide

[2-13C]glyoxylic acid

Downstream raw materials:

tris(phenylseleno)<13C>methan

benzyl<13C>formate

[13C,15N]formamide

IrClH₂(CO)(P(CH₃)2C₆H₅)2

Refernces

• 1、 Sato, Shunsuke,Arai, Takeo,Morikawa, Takeshi. "Toward solar-driven photocatalytic CO2 reduction using water as an electron donor". . p. 5105 - 5113. Retrieved 2015.
• 2、 Mori, Kohsuke,Sano, Taiki,Kobayashi, Hisayoshi,Yamashita, Hiromi. "Surface Engineering of a Supported PdAg Catalyst for Hydrogenation of CO2 to Formic Acid: Elucidating the Active Pd Atoms in Alloy Nanoparticles". . p. 8902 - 8909. Retrieved 2018.
• 3、 Tamaki, Yusuke,Koike, Kazuhide,Ishitani, Osamu. "Highly efficient, selective, and durable photocatalytic system for CO2 reduction to formic acid". . p. 7213 - 7221. Retrieved 2015.
• 4、 Rosas-Hernández, Alonso,Junge, Henrik,Beller, Matthias. "Photochemical Reduction of Carbon Dioxide to Formic Acid using Ruthenium(II)-Based Catalysts and Visible Light". . p. 3316 - 3321. Retrieved 2015.
• 5、 Hawkins, Michael,Kohlmiller, Christopher K.,Andrews, Lester. "Matrix Infrared Spectra and Photolysis and Pyrolysis of Isotopic Secondary Ozonides of Ethylene". . p. 3154 - 3166. Retrieved 1982.
• 6、 Yu, Xiang,Zhao, Cong-Cong,Gu, Jian-Xia,Sun, Chun-Yi,Zheng, Hai-Yan,Yan, Li-Kai,Sun, Min,Wang, Xin-Long,Su, Zhong-Min. "Transition-Metal-Modified Vanadoborate Clusters as Stable and Efficient Photocatalysts for CO2Reduction". . p. 7364 - 7371. Retrieved 2021.
• 7、 Dong, Long-Zhang,Zhang, Lei,Liu, Jiang,Huang, Qing,Lu, Meng,Ji, Wen-Xin,Lan, Ya-Qian. "Stable Heterometallic Cluster-Based Organic Framework Catalysts for Artificial Photosynthesis". . p. 2659 - 2663. Retrieved 2020.
• 8、 Motokura, Ken,Naijo, Masaki,Yamaguchi, Sho,Miyaji, Akimitsu,Baba, Toshihide. "Reductive transformation of CO2 with hydrosilanes catalyzed by simple fluoride and carbonate salts". . p. 1217 - 1219. Retrieved 2015.
• 9、 Lee, Yeob,Kim, Sangjun,Fei, Honghan,Kang, Jeung Ku,Cohen, Seth M.. "Photocatalytic CO2 reduction using visible light by metal-monocatecholato species in a metal-organic framework". . p. 16549 - 16552. Retrieved 2015.
• 10、 Xu, Yanjie,Wang, Shuai,Yang, Jun,Han, Bo,Nie, Rong,Wang, Jixian,Dong, Yapeng,Yu, Xiaogang,Wang, Jianguo,Jing, Huanwang. "Highly efficient photoelectrocatalytic reduction of CO2 on the Ti3C2/g-C3N4 heterojunction with rich Ti3+ and pyri-N species". . p. 15213 - 15220. Retrieved 2018.