Pivanex

Base Information

• Chemical Name: Pivanex
• CAS No.: 122110-53-6
• Molecular Formula: C₁₀H₁₈O₄
• Molecular Weight: 202.251
• UNII: 55VNK5440P
• DSSTox Substance ID: DTXSID40190818
• Nikkaji Number: J438.886K
• Wikidata: Q27261343
• NCI Thesaurus Code: C1344
• Metabolomics Workbench ID: 149394
• ChEMBL ID: CHEMBL100014
• Mol file: 122110-53-6.mol

Synonyms:AN 9;AN-9;pivalyloxymethyl butyrate

Chemical Property of Pivanex

Chemical Property:

• Vapor Pressure: 0.0231mmHg at 25°C
• Boiling Point: 249.3°Cat760mmHg
• Flash Point: 113°C
• PSA: 52.60000
• Density: 1.008g/cm³
• LogP: 1.87650
• Storage Temp.: ?20°C
• Solubility.: DMSO: ≥10mg/mL
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 202.12050905
• Heavy Atom Count: 14
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

AN-9 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(=O)OCOC(=O)C(C)(C)C
• Recent ClinicalTrials: Comparative Trial of Pivanex and Docetaxel Vs Docetaxel Monotherapy in Patients With Advanced Non-Small Cell Lung Cancer

Technology Process of Pivanex

There total 2 articles about Pivanex 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: 57.0%

Chloromethyl pivalate (18997-19-8) + butyric acid (107-92-6) → pivanex (122110-53-6)

Guidance literature:

With triethylamine; In acetone; for 24h; Ambient temperature;

DOI:10.1021/jm00082a009

Reference yield:

→ pivanex (122110-53-6)

Guidance literature:

upstream raw materials:

Chloromethyl pivalate

butyric acid