Pavatrine hydrochloride

Base Information

• Chemical Name: Pavatrine hydrochloride
• CAS No.: 548-65-2
• Molecular Formula: C₂₀H₂₃NO₂*ClH
• Molecular Weight: 345.869
• Hs Code.: 2922199090
• NSC Number: 35448
• UNII: 89BCO0A5W3
• DSSTox Substance ID: DTXSID70203283
• Wikidata: Q27270031
• NCI Thesaurus Code: C87606
• Mol file: 548-65-2.mol

Synonyms:Pavatrine hydrochloride;Robitrin;Pavatrine;548-65-2;Spasmadrina;Ro 2-3208;NSC 35448;Fluorene-9-carboxylic acid, 3-quinuclidinyl ester;UNII-89BCO0A5W3;2-Diethylaminoethyl 9-fluorenecarboxylate hydrochloride;89BCO0A5W3;2-(diethylamino)ethyl 9H-fluorene-9-carboxylate;hydrochloride;FLUORENE-9-CARBOXYLIC ACID, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE;3-Quinuclidinol, 9-fluorenecarboxylate, hydrochloride;NSC-35448;Aminocarbofluorene;9H-Fluorene-9-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride;2-(Diethylamino)ethyl 9H-fluorene-9-carboxylate hydrochloride;PAVATRINE HCL;C20H23NO2.ClH;2-diethylaminoethyl 9H-fluorene-9-carboxylate hydrochloride;DTXSID70203283;NSC35448;Fluorene-9-carboxylic acid, hydrochloride;LS-69215;WLN: L B656 HHJ HVO2N2&2 &GH;9H-Fluorene-9-carboxylic acid, hydrochloride;WLN: L B656 HHJ HVO- AT66 A B CNTJ &GH;Q27270031;2-(Diethylamino)ethyl 9-fluorenecarboxylate hydrochloride;Fluorene-9-carboxylic acid, 2-(diethylamino)ethyl ester hydrochloride

Chemical Property of Pavatrine hydrochloride

Chemical Property:

• Vapor Pressure: 3.48E-08mmHg at 25°C
• Boiling Point: 447°Cat760mmHg
• Flash Point: 149.7°C
• PSA: 29.54000
• Density: g/cm³
• LogP: 4.48590
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 345.1495567
• Heavy Atom Count: 24
• Complexity: 371

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCOC(=O)C1C2=CC=CC=C2C3=CC=CC=C13.Cl

Technology Process of Pavatrine hydrochloride

There total 2 articles about Pavatrine hydrochloride 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:

9H-fluorene-9-carboxylic acid (1989-33-9) + 2-(diethylamino)ethyl chloride (100-35-6) → pavatrine hydrochloride (548-65-2)

Guidance literature:

With isopropyl alcohol;

DOI:10.1021/ja01242a036

Reference yield:

9H-fluorene (86-73-7) → pavatrine hydrochloride (548-65-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium

2: isopropyl alcohol

With sodium; isopropyl alcohol;

DOI:10.1021/ja01242a036

upstream raw materials:

9H-fluorene-9-carboxylic acid

2-(diethylamino)ethyl chloride

9H-fluorene