Propoxate

Base Information

• Chemical Name: Propoxate
• CAS No.: 7036-58-0
• Molecular Formula: C15H18N2O2
• Molecular Weight: 258.32
• European Community (EC) Number: 230-316-6
• UNII: M42D353K88
• DSSTox Substance ID: DTXSID7057810
• Nikkaji Number: J2.992.964E
• Wikipedia: Propoxate
• Wikidata: Q20539240
• NCI Thesaurus Code: C76957
• ChEMBL ID: CHEMBL2106518
• Mol file: 7036-58-0.mol

Synonyms:propoxate;propoxate monohydrochloride;propoxate monohydrochloride, (+-) isomer;propyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate

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Chemical Property of Propoxate

Chemical Property:

• Vapor Pressure: 9.91E-07mmHg at 25°C
• Boiling Point: 403.8°Cat760mmHg
• Flash Point: 198°C
• PSA: 44.12000
• Density: 1.1g/cm³
• LogP: 3.05920
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 258.136827821
• Heavy Atom Count: 19
• Complexity: 290

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2

Technology Process of Propoxate

There total 1 articles about Propoxate 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:

→ 3-(1-phenyl-ethyl)-3H-imidazole-4-carboxylic acid propyl ester (7036-58-0)

Guidance literature:

DL-1-<1-Phenyl-aethyl>-imidazol-5-carbonsaeure-chlorid-hydrochlorid, Propanol;

DOI:10.1021/jm00326a017