Propanoic acid-2,2-d2

Base Information

• Chemical Name: Propanoic acid-2,2-d2
• CAS No.: 19136-91-5
• Molecular Formula: C3H4D2O2
• Molecular Weight: 76.0636
• European Community (EC) Number: 685-213-2
• DSSTox Substance ID: DTXSID10480910
• Mol file: 19136-91-5.mol

Synonyms:Propanoic acid-2,2-d2;19136-91-5;Propionic acid-2,2-d2;2,2-dideuteriopropanoic acid;propionic-d2;Propionic-d2 Acid;Propanoic-2,2-d2acid(9ci);DTXSID10480910;AKOS015910323;Propionic acid-2,2-d2, 98 atom % D;D99197;J-012373

Chemical Property of Propanoic acid-2,2-d2

Chemical Property:

• Vapor Pressure: 4.23mmHg at 25°C
• Melting Point: -24 - -23 °C(lit.)
• Refractive Index: 1.397
• Boiling Point: 141.7 °C at 760 mmHg
• Flash Point: 57.7 °C
• PSA: 37.30000
• Density: 1.046 g/cm³
• LogP: 0.48100
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 76.049332922
• Heavy Atom Count: 5
• Complexity: 40.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

Propionic-d2Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 23-36-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)O
• Isomeric SMILES: [2H]C([2H])(C)C(=O)O

Technology Process of Propanoic acid-2,2-d2

There total 4 articles about Propanoic acid-2,2-d2 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:

p-nitrophenyl propanoate-α-d2 → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + (2,2-d2)-propionic acid (19136-91-5)

Guidance literature:

With alkaline solution; In water; acetonitrile; at 24.9 - 25.1 ℃; Rate constant; carbonate buffer pH 10.70;

DOI:10.1021/ja00250a026

Reference yield:

Diethyl methylmalonate (609-08-5) → (2,2-d2)-propionic acid (19136-91-5)

Guidance literature:

With ethanol; water-d2; sodium; phosphorus trichloride; Multistep reaction;

Reference yield:

1,1-dideuterio-1-bromoethane (3652-84-4) + carbon dioxide (124-38-9,18923-20-1) → (2,2-d2)-propionic acid (19136-91-5)

Guidance literature:

With magnesium;

DOI:10.1021/j100265a011

upstream raw materials:

1,1-dideuterio-1-bromoethane

carbon dioxide

Diethyl methylmalonate

Downstream raw materials:

propionic acid-d3

2,2-dideuterio-propan-1-ol

2,2,3,3-²H-butane

methyl hexanoate

Refernces

• 1、 Matta, Michael S.,Broadway, Dale E.,Stroot, Michele K.. "Parallel Behavior in Kinetic and NMR Effects: Secondary Deuterium Isotope Effects on the Alkaline Hydrolysis of Esters". . p. 4916 - 4918. Retrieved 2007/10/02.
• 2、 Boden, Neville,Bushby, Richard J.,Clark, Leslie D.. "The Synthesis of Specifically and Selectively Deuteriated 4,4'-Bisalkoxyazoxybenzene Derivatives". . p. 543 - 551. Retrieved 2007/10/02.