Penicilloic V Acid

Base Information

• Chemical Name: Penicilloic V Acid
• CAS No.: 1049-84-9
• Deprecated CAS: 1049-83-8,14324-02-8,33823-37-9
• Molecular Formula: C₁₆H₂₀N₂O₆S
• Molecular Weight: 368.411
• Hs Code.: 2934999090
• NSC Number: 163496,74505
• DSSTox Substance ID: DTXSID20909263
• Nikkaji Number: J546.931G
• Mol file: 1049-84-9.mol

Synonyms:Penicilloic V Acid;1049-84-9;2-[carboxy-[(2-phenoxyacetyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;NSC163496;phenoxomethylpenicilloyl;2-(Carboxy(2-phenoxyacetamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid;Penicilloic acid V;NSC 74505;NSC 163496;(Phenoxymethyl) penicilloic Acid;DTXSID20909263;CHEBI:190081;NSC74505;NSC-74505;NSC-163496;2-Thiazolidineacetic acid, 4-carboxy-5,5-dimethyl-alpha-((phenoxyacetyl)amino)-;FT-0673557;J-001326;4-Carboxy-5,5-dimethyl-alpha-[(2-phenoxyacetyl)amino]-2-thiazolidineacetic Acid;1049-83-8;2-{Carboxy[(1-hydroxy-2-phenoxyethylidene)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Chemical Property of Penicilloic V Acid

Chemical Property:

• Vapor Pressure: 7.85E-21mmHg at 25°C
• Melting Point: 110 - 116°C
• Boiling Point: 704.5°Cat760mmHg
• Flash Point: 379.9°C
• PSA: 150.26000
• Density: 1.352g/cm³
• LogP: 1.24880
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 368.10420754
• Heavy Atom Count: 25
• Complexity: 521

Purity/Quality:

99%, ^*data from raw suppliers

Penicilloic V acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(NC(S1)C(C(=O)O)NC(=O)COC2=CC=CC=C2)C(=O)O)C
• Uses: Degradation product of Penicillin V.

Technology Process of Penicilloic V Acid

There total 2 articles about Penicilloic V Acid 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:

→ (RS)-((2RS)-4t-carboxy-5,5-dimethyl-thiazolidin-2r-yl)-(2-phenoxy-acetylamino)-acetic acid (1049-84-9,123314-55-6,123314-56-7,14324-02-8,33823-37-9)

Guidance literature:

/BRN= 97520/;

DOI:10.1021/ja01521a044

Reference yield:

→ Phenoxymethyl-penicilloinsaeure (1049-84-9,14324-02-8,33823-37-9)

Guidance literature:

entspr. t-Butylester, HCl;

Reference yield:

(RS)-((2RS)-4t-carboxy-5,5-dimethyl-thiazolidin-2r-yl)-(2-phenoxy-acetylamino)-acetic acid (1049-84-9,123314-55-6,123314-56-7,14324-02-8,33823-37-9) → rac-6β-(2-phenoxy-acetylamino)-penicillanic acid (87-08-1,6153-24-8,6153-25-9,39539-54-3,41400-52-6,145920-47-4)

Guidance literature:

With 1,4-dioxane; sodium hydroxide; dicyclohexyl-carbodiimide;

DOI:10.1021/ja01521a044

Downstream raw materials:

rac-6β-(2-phenoxy-acetylamino)-penicillanic acid

2-[methoxycarbonyl-(2-phenoxy-acetylamino)-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid methyl ester

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