(2H)Formic (2)acid

Base Information

• Chemical Name: (2H)Formic (2)acid
• CAS No.: 920-42-3
• Molecular Formula: CD2O2
• Molecular Weight: 48.0098
• Hs Code.: 28459000
• European Community (EC) Number: 213-057-3
• DSSTox Substance ID: DTXSID20238823
• Nikkaji Number: J298.477F
• Mol file: 920-42-3.mol

Synonyms:Formic acid-d2;920-42-3;(2H)Formic (2)acid;deuterio deuterioformate;Formic-d acid-d;DCOOD;EINECS 213-057-3;Formic Acid-d2 (95% w/w in D2O);[2H]formic [2]acid;(2H2)Formic acid;DIDEUTEROFORMIC ACID;CD2O2;C-D2-O2;DTXSID20238823;CHEBI:193132;MFCD00037363;CS-T-55022;Formic-d acid-d(6CI,7CI,8CI,9CI);AS-75542;Formic Acid-d2 (95per cent w/w in D2O);Formic-d acid-d, 95 wt% in Deuterium oxide;A935592;Formic acid-d2, 95 wt. % in D2O, 98 atom % D

Chemical Property of (2H)Formic (2)acid

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 36.5mmHg at 25°C
• Melting Point: 8.2-8.4 °C(lit.)
• Refractive Index: n20/D 1.369(lit.)
• Boiling Point: 100.6 °C at 760 mmHg
• Flash Point: 29.9 °C
• PSA: 37.30000
• Density: 1.205 g/cm³
• LogP: 0.33670
• Storage Temp.: 0-6°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 48.018032794
• Heavy Atom Count: 3
• Complexity: 10.3

Purity/Quality:

99% ^*data from raw suppliers

Formic Acid-d2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-20/21/22-34-35
• Safety Statements: 16-23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(=O)O
• Isomeric SMILES: [2H]C(=O)O[2H]
• Uses: (Formic acid-D2) Labelled Formic Acid is used to improve NMR profiling of amino metabolites in biofluids.

Technology Process of (2H)Formic (2)acid

There total 14 articles about (2H)Formic (2)acid 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: 78.0%

oxalic acid-d2 (2065-73-8) → dideuterioformic acid (920-42-3)

Guidance literature:

With H₅C₃(OD)3; In neat (no solvent); thermal decomposition of (COOD)2 is catalyzed by H5C3(OD)3;;

Reference yield: 39.0%

formic acid (64-18-6) → dideuterioformic acid (920-42-3)

Guidance literature:

With 1,2-dimethyl-1,1,2,2-tetraphenyldisilane; tetrabutyl ammonium fluoride; water-d2; In dimethyl sulfoxide; at 80 ℃; for 24h;

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

Reference yield:

carbon monoxide (201230-82-2) → paraformaldehyde-d2 (1664-98-8,43094-80-0) + deuterioformyl (24286-05-3) + d(4)-methanol (811-98-3) + dideuterioformic acid (920-42-3) + carbon dioxide (124-38-9,18923-20-1) + trans-DOCO + carbon dioxide (1111-72-4) + (18)CO2

Guidance literature:

With water-d2; for 2h; Irradiation;

DOI:10.1002/anie.201901059

upstream raw materials:

sodium cyanide

oxalic acid

formic acid

paraformaldehyde-d2

Downstream raw materials:

methyl deuterioformate

carbon monoxide

water-d2

O-Deutero-allylalkohol

Refernces

A NEW SYNTHETIC ROUTE TO 2-DEUTERIOADENINES SUBSTITUTED OR UNSUBSTITUTED AT THE 9-POSITION

10.3987/R-1986-09-2449

The research aimed to develop a new synthetic route to 2-deuterioadenines, which are isotopically labeled adenine derivatives substituted or unsubstituted at the 9-position. These compounds are crucial for biochemical, mechanistic, and spectroscopic studies due to their stability against isotopic exchange. The study successfully synthesized 9-alkyl-2-deuterioadenines (VIII) from 9-substituted adenines (Ib-f) through cyclization of monocyclic intermediates (VIb-e) with formic acid-d2 or 1-(formyl-d)-2(1H)-pyridone. Key chemicals used in the process included formic acid-d2, 1-(formyl-d)-2(1H)-pyridone, Amberlite IRA-402 (OH-), and various 9-substituted adenines. The conclusions highlighted the development of a general and unambiguous synthetic route to 9-substituted 2-deuterioadenines of high isotopic purity, which are expected to be valuable starting materials for syntheses of various adenine structures required for biochemical and spectroscopic investigations.