Esproquin

Base Information

• Chemical Name: Esproquin
• CAS No.: 37517-33-2
• Molecular Formula: C14H21NOS
• Molecular Weight: 251.3876
• UNII: 3JYK9XFM9K
• DSSTox Substance ID: DTXSID40865872
• Nikkaji Number: J17.547A
• Wikidata: Q27257347
• NCI Thesaurus Code: C72568
• ChEMBL ID: CHEMBL2110833
• Mol file: 37517-33-2.mol

Synonyms:esproquin;esproquin hydrochloride;NC 7197

Chemical Property of Esproquin

Chemical Property:

• Vapor Pressure: 6.29E-08mmHg at 25°C
• Boiling Point: 439.6°Cat760mmHg
• Flash Point: 219.7°C
• PSA: 39.52000
• Density: 1.122g/cm³
• LogP: 3.00700
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 251.13438547
• Heavy Atom Count: 17
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

ESPROQUINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)CCCN1CCC2=CC=CC=C2C1
• Uses: Adrenergic.

Technology Process of Esproquin

There total 1 articles about Esproquin 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:

→ 2-(3-ethanesulfinyl-propyl)-1,2,3,4-tetrahydro-isoquinoline (37517-33-2)

Guidance literature:

Verb.8, Peressigsaeure, HOAc;

DOI:10.1021/jm00265a028