N-Propionylglycine

Base Information

• Chemical Name: N-Propionylglycine
• CAS No.: 21709-90-0
• Molecular Formula: C5H9 N O3
• Molecular Weight: 131.131
• Hs Code.: 2924199090
• NSC Number: 158539
• UNII: 26615FM8NG
• DSSTox Substance ID: DTXSID60176098
• Nikkaji Number: J135.906A
• Wikidata: Q27162021
• Metabolomics Workbench ID: 37423
• Mol file: 21709-90-0.mol

Synonyms:N-propionylglycine

Chemical Property of N-Propionylglycine

Chemical Property:

• Vapor Pressure: 6.49E-07mmHg at 25°C
• Melting Point: 126-127 °C
• Boiling Point: 382.6°Cat760mmHg
• PKA: 3.60±0.10(Predicted)
• Flash Point: 185.2°C
• PSA: 66.40000
• Density: 1.174g/cm³
• LogP: -0.01190
• Storage Temp.: Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 131.058243149
• Heavy Atom Count: 9
• Complexity: 121

Purity/Quality:

98%min ^*data from raw suppliers

Propionyl glycine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)NCC(=O)O
• Uses: A metabolite of methylmalonic acid and propionic acid in children with methylmalonic acid and propionic acid metabolic disorders.

Technology Process of N-Propionylglycine

There total 1 articles about N-Propionylglycine 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:

glycine (56-40-6,18875-39-3,25718-94-9) + S-propionyl-coenzyme-A (317-66-8) → N-propionylglycine (21709-90-0) + coenzyme A (85-61-0)

Guidance literature:

With bovine liver glycine N-acyltransferase; at 30 ℃; pH=8; Reagent/catalyst; Kinetics; aq. buffer; Enzymatic reaction;

DOI:10.1124/dmd.111.041657

Reference yield: 69.0%

N-propionylglycine (21709-90-0) + C15H17Cl2NO3 → (2-(propionamido)acetoyloxy)methyl (S)-1-(2-chlorophenyl)-2-oxocyclohexyl(methyl)carbamate

Guidance literature:

With potassium carbonate; sodium iodide; In acetone; at 70 ℃; for 1h;

Reference yield: 65.0%

N-propionylglycine (21709-90-0) + C16H19Cl2NO3 → 1-(2-(propionamido)acetoyloxy)ethyl (S)-1-(2-chlorophenyl)-2-oxocyclohexyl(methyl)carbamate

Guidance literature:

With triethylamine; sodium iodide; In acetone; at 70 ℃; for 16h;

upstream raw materials:

glycine

S-propionyl-coenzyme-A

Downstream raw materials:

C₁₁H₁₄N₂O₂

[1-(N-acetylamino)methyl]triphenylphosphonium tetrafluoroborate

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