Pseudotropine benzoate hydrochloride

Base Information

• Chemical Name: Pseudotropine benzoate hydrochloride
• CAS No.: 55623-27-3
• Molecular Formula: C15H19 N O2 . Cl H
• Molecular Weight: 281.782
• NSC Number: 94260,76018
• DSSTox Substance ID: DTXSID90970965
• Mol file: 55623-27-3.mol

Synonyms:Pseudotropine benzoate hydrochloride;55623-27-3;O-Benzoyltropine hydrochloride;Benzoyltropine hydrochloride;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate;hydrochloride;o-Benzoyl-pseudotropine hydrochloride;Benzoic acid tropine ester hydrochloride;NSC-76018;Tropacocainhydrochlorid;Tropacocaine, hydrochloride;TROPACOCAINE (SALT);SCHEMBL3498565;DTXSID90970965;PSEUDOTROPINE BENZOATE, HCL;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate hydrochloride;NSC76018;NSC94260;NSC-94260;AB02108;1.alpha.H, benzoate (ester), hydrochloride;A830727;SR-01000493884;SR-01000493884-1;8-Azabicyclo[3.2.1]octan-3-ol, benzoate (ester), hydrochloride, endo-;8-Azabicyclo[3.2.1]octan-3-ol, benzoate (ester), hydrochloride, exo-;8-Methyl-8-azabicyclo[3.2.1]octan-3-yl benzoate--hydrogen chloride (1/1);benzoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester hydrochloride;ENDO-BENZOIC ACID 8-METHYL-8-AZA-BICYCLO[3.2.1]OCT-3-YL ESTER HYDROCHLORIDE

Chemical Property of Pseudotropine benzoate hydrochloride

Chemical Property:

• Vapor Pressure: 7.11E-06mmHg at 25°C
• Boiling Point: 339.9°Cat760mmHg
• Flash Point: 122.3°C
• PSA: 29.54000
• Density: 1.15g/cm³
• LogP: 3.20850
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 281.1182566
• Heavy Atom Count: 19
• Complexity: 298

Purity/Quality:

98%min ^*data from raw suppliers

ENDO-BENZOIC ACID 8-METHYL-8-AZA-BICYCLO[3.2.1]OCT-3-YL ESTER HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCC1CC(C2)OC(=O)C3=CC=CC=C3.Cl

Technology Process of Pseudotropine benzoate hydrochloride

There total 1 articles about Pseudotropine benzoate 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: 45.0%

benzoyl chloride (98-88-4) + 3-tropanol (120-29-6) → Tropine benzoate hydrochloride (55623-27-3)

Guidance literature:

With pyridine; for 12h; Ambient temperature;

DOI:10.1016/0223-5234(93)90039-H

Reference yield:

Tropine benzoate hydrochloride (55623-27-3) → endo-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester (19145-60-9)

Guidance literature:

With ammonia; In water;

upstream raw materials:

benzoyl chloride

3-tropanol

Downstream raw materials:

endo-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester

Refernces

• 1、 Langlois,Soulier,Yang,Bremont,Florac,Rampillon,Giudice. "Structural analysis of 5-HT3 receptor antagonists: Synthesis and pharmacological activity of various aromatic esters or amides derived from tropane and 1,2,6-trisubstituted piperidine". . p. 869 - 880. Retrieved 2007/10/02.