Propanoic acid-1-13C

Base Information

• Chemical Name: Propanoic acid-1-13C
• CAS No.: 6212-69-7
• Molecular Formula: C3H6O2
• Molecular Weight: 75.09
• European Community (EC) Number: 685-182-5
• DSSTox Substance ID: DTXSID00480909
• Wikidata: Q82316041
• Mol file: 6212-69-7.mol

Synonyms:Propanoic acid-1-13C;6212-69-7;(113C)propanoic acid;Propionic acid-1-13C;Propionic Acid-13C;DTXSID00480909;AKOS015894036;Propionic acid-1-13C, 99 atom % 13C

Chemical Property of Propanoic acid-1-13C

Chemical Property:

• Melting Point: -24--23 °C(lit.)
• Boiling Point: 141 °C(lit.)
• Flash Point: 54 °C
• PSA: 37.30000
• Density: 0.993 g/mL at 25 °C
• LogP: 0.48100
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 75.040134265
• Heavy Atom Count: 5
• Complexity: 40.2

Purity/Quality:

95%; 99% atom 13C ^*data from raw suppliers

PropionicAcid-13C ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-10
• Safety Statements: 23-36-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(=O)O
• Isomeric SMILES: CC[13C](=O)O

Technology Process of Propanoic acid-1-13C

There total 6 articles about Propanoic acid-1-13C 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: 100.0%

<1-13C>-cyclopropanone hydrate → <1-(13)C>-Propionic acid (6212-69-7)

Guidance literature:

at 70 ℃; for 1.5h; microsomal incubation;

DOI:10.1021/ja0119346

Reference yield: 84.0%

carbon dioxide (1111-72-4) + ethylmagnesium bromide (925-90-6) → <1-(13)C>-Propionic acid (6212-69-7)

Guidance literature:

In diethyl ether;

DOI:10.1021/ja00530a007

Reference yield: 70.0%

ethyl bromide (74-96-4) + carbon dioxide (1111-72-4) → <1-(13)C>-Propionic acid (6212-69-7)

Guidance literature:

With magnesium;

upstream raw materials:

ethylmagnesium iodide

carbon dioxide

ethyl bromide

ethylmagnesium bromide

Downstream raw materials:

1-(13)C-propionaldehyde

<1-13C>-1-Propanol