Propionaldehyde-2,2-d2

Base Information

• Chemical Name: Propionaldehyde-2,2-d2
• CAS No.: 39493-21-5
• Molecular Formula: C3H4 D2 O
• Molecular Weight: 60.0642
• European Community (EC) Number: 694-235-1
• DSSTox Substance ID: DTXSID60480223
• Nikkaji Number: J1.019.936K
• Wikidata: Q82314859
• Mol file: 39493-21-5.mol

Synonyms:Propionaldehyde-2,2-d2;2,2-dideuteriopropanal;39493-21-5;DTXSID60480223;Propionaldehyde-2,2-d2, 98 atom % D;D98006

Chemical Property of Propionaldehyde-2,2-d2

Chemical Property:

• Boiling Point: 47-48 °C
• PSA: 17.07000
• Density: 0.832 g/mL at 25 °C
• LogP: 0.59530
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 60.054418303
• Heavy Atom Count: 4
• Complexity: 17.2

Purity/Quality:

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

Propionaldehyde-2,2-d2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 9-16-29

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Propionaldehyde-2,2-d2

There total 4 articles about Propionaldehyde-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: 47.0%

propionaldehyde (123-38-6) → n-propionaldehyde-2,2-d2 (39493-21-5)

Guidance literature:

With pyridine; water-d2; at 100 ℃; for 4h;

DOI:10.1002/adsc.200900665

Reference yield:

1,2-propanediol (2-d1) (344328-71-8) → 1-deuterio-acetaldehyde (4122-13-8) + acetone-d1 (4468-52-4) + n-propionaldehyde-2,2-d2 (39493-21-5)

Guidance literature:

In aq. phosphate buffer; water; at 25 ℃; for 1h; under 760.051 Torr; pH=7; Kinetics; Irradiation; Inert atmosphere; Sealed tube;

DOI:10.1080/10715762.2020.1838502

Reference yield:

propionaldehyde (123-38-6) → n-propionaldehyde-2,2-d2 (39493-21-5)

Guidance literature:

In pyridine; for 24h; Heating; repeat twice;

upstream raw materials:

propionaldehyde

1,2-propanediol (2-d1)

Downstream raw materials:

(2S)-2-{diphenyl[(trimethylsilyl)oxy]methyl}-1-[(1E,3R)-2-methyl-4-nitro-3-phenylbut-1-en-1-yl]pyrrolidine

2,2-dideuterio-propan-1-ol

Refernces

• 1、 Zotova, Natalia,Moran, Antonio,Armstrong, Alan,Blackmond, Donna G.. "A coherent mechanistic rationale for additive effects and autoinductive behaviour in proline-mediated reactions". . p. 2765 - 2769. Retrieved 2009.
• 2、 Edwards,Farwell,Bowen. "FT-Raman spectra of n-propanol and selected partially 2H-labelled analogues". . p. 184 - 190. Retrieved 2007.