Propicillin

Base Information

• Chemical Name: Propicillin
• CAS No.: 551-27-9
• Molecular Formula: C18H22 N2 O5 S
• Molecular Weight: 378.449
• European Community (EC) Number: 208-995-5
• UNII: 8X1R260V33
• DSSTox Substance ID: DTXSID3046291
• Nikkaji Number: J188.400J
• Wikipedia: Propicillin
• Wikidata: Q7250320
• NCI Thesaurus Code: C66483
• Metabolomics Workbench ID: 58253
• ChEMBL ID: CHEMBL2105612
• Mol file: 551-27-9.mol

Synonyms:Baycillin;Propibay;propicillin;propicillin potassium;propicillin, (2S-(2alpha,5alpha,6beta(R*)))-isomer;propicillin, monopotassium salt, (2S-(2alpha,5alpha,6beta(R*)))-isomer;propicillin, monopotassium salt, (2S-(2alpha,5alpha,6beta(S*)))-isomer;propicillin, monosodium salt, (2S-(2alpha,5alpha,6beta))-isomer

Chemical Property of Propicillin

Chemical Property:

• Vapor Pressure: 3.59E-19mmHg at 25°C
• Boiling Point: 675.5°Cat760mmHg
• PKA: pKa 2.72±0.04(H2O t=25 c=0.01) (Uncertain)
• Flash Point: 362.3°C
• PSA: 124.73000
• Density: 1.38g/cm³
• LogP: 2.25390
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 378.12494298
• Heavy Atom Count: 26
• Complexity: 590

Purity/Quality:

95-99% ^*data from raw suppliers

Propicillin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O)OC3=CC=CC=C3
• Isomeric SMILES: CCC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3
• Uses: Propicillin, is a derivative of penicillin. Properties are similar to benzylpenicillin particularly used in streptococcal infections, not resistant to penicillinase.

Technology Process of Propicillin

There total 1 articles about Propicillin 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:

6-Aminopenicillanic Acid (551-16-6) + 2-phenoxybutyric acid (13794-14-4) → α-phenoxypropylpenicillin (551-27-9)

Guidance literature:

Multistep reaction; (i) ClCO₂iBu, Et₃N, dioxane, acetone, (ii) /BRN= 15080/;

DOI:10.1021/ja01500a036

upstream raw materials:

6-Aminopenicillanic Acid

2-phenoxybutyric acid