Malonic acid-d4

Base Information

• Chemical Name: Malonic acid-d4
• CAS No.: 813-56-9
• Molecular Formula: C3D4O4
• Molecular Weight: 108.031
• Hs Code.: 28459000
• European Community (EC) Number: 212-385-4
• DSSTox Substance ID: DTXSID30231042
• Nikkaji Number: J193.194F
• Wikidata: Q83111856
• Mol file: 813-56-9.mol

Synonyms:Malonic acid-d4;813-56-9;MALONIC-D2 ACID-D2;dideuterio 2,2-dideuteriopropanedioate;(2H2)Malonic (2H2)acid;EINECS 212-385-4;[2H2]malonic [2H2]acid;propanedioic-d2 acid-d2;Propanedioic-d2- acid-d2-;C3D4O4;SCHEMBL1330716;DTXSID30231042;C3-D4-O4;CS-CE-00856;MFCD00002710;Malonic acid-d4, 98 atom % D, 99% (CP);(6R-trans)-7-Amino-8-oxo-3-(((1-(sulphomethyl)-1H-tetrazol-5-yl)thio)methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid

Chemical Property of Malonic acid-d4

Chemical Property:

• Appearance/Colour: white crystals
• Vapor Pressure: 4.66E-07mmHg at 25°C
• Melting Point: 132-135 °C (dec.)(lit.)
• Refractive Index: 1.478
• Boiling Point: 386.8 °C at 760 mmHg
• Flash Point: 201.9 °C
• PSA: 74.60000
• Density: 1.605 g/cm₃
• LogP: -0.45430
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: DMSO, Metahnol
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 108.03606559
• Heavy Atom Count: 7
• Complexity: 83.1

Purity/Quality:

99%, ^*data from raw suppliers

Malonic Acid-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)O)C(=O)O
• Isomeric SMILES: [2H]C([2H])(C(=O)O[2H])C(=O)O[2H]
• Uses: Malonic Acid-d4 is the isotope labelled analog of Malonic Acid (M158005); a small bioactive molecule that can be used in various reactions. It is the classic example of a competitive inhibitor which acts against succinate dehydrogenase (complex II) in the respiratory electron transport chain.

Technology Process of Malonic acid-d4

There total 6 articles about Malonic acid-d4 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:

malonic acid (141-82-2) → tetradeuterio-malonic acid (813-56-9)

Guidance literature:

With water-d2; wiederholtes Eindampfen;

Reference yield:

carbon suboxide (504-64-3) + water-d2 (7789-20-0) → tetradeuterio-malonic acid (813-56-9)

Guidance literature:

In not given;

DOI:10.1021/ja01296a011

Reference yield:

carbon suboxide (504-64-3) → tetradeuterio-malonic acid (813-56-9)

Guidance literature:

With water-d2; benzene;

upstream raw materials:

carbon suboxide

malonic acid

water-d2

Downstream raw materials:

2-bromoacetic-d₂ acid-d

tetradeuterioacetic acid

acetic-d acid

acetic-d₂ acid

Refernces

• 1、 Salton, F.,Hill, R. D.,Meakins, G. D.. "". . . Retrieved 1960.