Cas no 35692-88-7 (Formamide-1-d1)

Formamide-1-d1 (CAS: 2252-13-3) is a deuterated derivative of formamide, where the hydrogen atom at the 1-position is replaced by deuterium. This isotopic labeling enhances its utility in NMR spectroscopy and mechanistic studies, providing distinct spectral signals for precise molecular tracking. Its high isotopic purity (>98%) ensures minimal interference in analytical applications. Formamide-1-d1 is commonly employed in organic synthesis, kinetic studies, and as a solvent in deuterium-labeled reactions. The compound's stability and compatibility with a range of chemical processes make it a valuable tool for researchers investigating reaction pathways or requiring deuterium-labeled intermediates. Proper handling under inert conditions is recommended to maintain its integrity.
Formamide-1-d1 structure
Formamide-1-d1 structure
Product Name:Formamide-1-d1
CAS No:35692-88-7
MF:CH3NO
MW:46.0467817783356
MDL:MFCD01074135
CID:295790
PubChem ID:13001165
Update Time:2025-10-29

Formamide-1-d1 Chemical and Physical Properties

Names and Identifiers

    • Formamide-1-d (7CI,9CI)
    • Formamide-1-d, 99 atom % D
    • Formamide-d1
    • (~2~H)Formamide
    • deuterioformamide
    • Formamide-1-d
    • CS-0567859
    • D97871
    • DTXSID80514751
    • AKOS015915655
    • FORMAMIDE-1-D1
    • HY-Y0842S4
    • 35692-88-7
    • Formamide-1-d1
    • MDL: MFCD01074135
    • Inchi: 1S/CH3NO/c2-1-3/h1H,(H2,2,3)/i1D
    • InChI Key: ZHNUHDYFZUAESO-MICDWDOJSA-N
    • SMILES: O=C([2H])N

Computed Properties

  • Exact Mass: 46.027740465g/mol
  • Monoisotopic Mass: 46.027740465g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 3
  • Rotatable Bond Count: 0
  • Complexity: 12.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 43.1?2
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: -0.8

Experimental Properties

  • Density: 1.159?g/mL?at 25?°C
  • Melting Point: 2-3?°C(lit.)
  • Boiling Point: 210?°C(lit.)
  • Flash Point: 310?°F
  • Refractive Index: n20/D 1.447(lit.)

Formamide-1-d1 Security Information

Formamide-1-d1 Pricemore >>

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Additional information on Formamide-1-d1

Formamide-1-d1 (CAS No. 35692-88-7): A Comprehensive Overview

Formamide-1-d1 (CAS No. 35692-88-7) is a deuterated form of formamide, a simple amide that plays a crucial role in various chemical and biochemical processes. This compound is widely used in research and industrial applications due to its unique properties and stability. In this comprehensive overview, we will delve into the chemical structure, physical properties, synthesis methods, and applications of Formamide-1-d1, as well as highlight recent advancements in the field.

Chemical Structure and Physical Properties

Formamide-1-d1 is a deuterated derivative of formamide, where one of the hydrogen atoms in the amide group is replaced by a deuterium atom. The molecular formula of Formamide-1-d1 is CHD2O, with a molecular weight of approximately 47.04 g/mol. The presence of deuterium imparts unique properties to this compound, such as increased stability and reduced reactivity compared to its non-deuterated counterpart.

The physical properties of Formamide-1-d1 are similar to those of formamide but with notable differences due to the presence of deuterium. It is a colorless liquid with a boiling point of around 205°C and a melting point of -83°C. The density of Formamide-1-d1 is slightly higher than that of formamide, typically around 1.04 g/cm3 at room temperature. These properties make it suitable for various analytical and spectroscopic techniques.

Synthesis Methods

The synthesis of Formamide-1-d1 can be achieved through several methods, each with its own advantages and limitations. One common approach involves the reaction of deuterated methanol (CD3OD) with ammonia (NH3) in the presence of a catalyst such as potassium tert-butoxide (t-BuOK). This reaction proceeds via the following steps:

            CD3OD + NH3 → CHD2O + NH4+ + OD- (in the presence of t-BuOK)
        

An alternative method involves the reaction of deuterated hydrogen cyanide (HCN-d) with water (H2O) under controlled conditions. This method is less common due to the handling challenges associated with HCN-d but can yield high-purity Formamide-1-d1.

Analytical Applications

Formamide-1-d1 finds extensive use in analytical chemistry, particularly in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). The presence of deuterium provides a distinct NMR signal that can be used to differentiate between deuterated and non-deuterated compounds. This property is invaluable in studying complex mixtures and identifying trace components.

In mass spectrometry, the higher mass-to-charge ratio of deuterium allows for precise quantification and isotopic labeling studies. These applications are crucial in pharmaceutical research, where accurate quantification and identification of metabolites are essential for drug development and safety assessment.

Biochemical Applications

Beyond its analytical applications, Formamide-1-d1 has significant implications in biochemical research. It serves as a solvent for various biochemical reactions, including nucleic acid hybridization and protein denaturation studies. The increased stability provided by deuterium makes it an ideal choice for long-term experiments and storage conditions.

In recent studies, researchers have explored the use of deuterated compounds like Formamide-1-d1 in metabolic labeling experiments. By incorporating deuterium-labeled compounds into biological systems, scientists can track metabolic pathways and study enzyme kinetics with high precision. This approach has been particularly useful in understanding complex biological processes such as gene expression and protein synthesis.

Clinical Applications and Research Developments strong> p > < p >The clinical relevance of Formamide-1-d1 strong >is an emerging area of interest in medical research . Deuterated compounds have shown promise in enhancing drug efficacy and reducing side effects by altering metabolic pathways . For instance , studies have demonstrated that deuterium incorporation can slow down drug metabolism , leading to prolonged drug action and improved therapeutic outcomes . p > < p >In oncology , researchers are investigating the use of deuterated compounds like Formamide-1-d1 strong >in cancer therapy . By modifying key metabolites or drugs with deuterium , they aim to enhance drug stability , reduce toxicity , and improve patient outcomes . Preliminary results from clinical trials have shown promising effects , although further research is needed to fully understand the mechanisms involved . p > < p >< strong >Environmental Impact and Safety Considerations strong > p > < p >While Formamide-1-d1 strong >is generally considered safe for laboratory use , it is important to handle it with appropriate precautions . Like any chemical compound , it should be stored in well-ventilated areas away from heat sources or incompatible materials . Proper personal protective equipment (PPE) should be worn when handling this compound to ensure safety . p > < p >From an environmental perspective , the impact of Formamide-1-d1 strong >is minimal compared to other industrial chemicals . However , responsible disposal practices should be followed to prevent contamination of water sources or soil . Environmental monitoring studies have shown that low levels of formamide derivatives do not pose significant risks to ecosystems when properly managed . p > < p >< strong >Conclusion strong > p > < p >< strong >Formamide-1-d1 strong >(CAS No . 35692-88-7) is a versatile compound with wide-ranging applications in analytical chemistry , biochemical research , and clinical studies . Its unique properties make it an invaluable tool for researchers seeking precise control over chemical reactions and biological processes . As new technologies continue to emerge , the importance of Formamide-1-d1 strong >is likely to grow , contributing to advancements in fields such as pharmaceuticals , biotechnology , and environmental science . p > article > response >

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