Pseudotropine benzoate hydrochloride

Base Information

• Chemical Name: Pseudotropine benzoate hydrochloride
• CAS No.: 637-23-0
• Molecular Formula: C15H19 N O2 . Cl H
• Molecular Weight: 281.782
• Hs Code.: 2933990090
• NSC Number: 94260,76018
• DSSTox Substance ID: DTXSID90970965
• Mol file: 637-23-0.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: 8.92E-05mmHg at 25°C
• Boiling Point: 339.9oC at 760 mmHg
• Flash Point: 122.3oC
• PSA: 29.54000
• 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:

99%, ^*data from raw 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
• Uses: Medicine (spinal anesthetic).

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:

benzoyl chloride (98-88-4) + pseudotropine (135-97-7) → Tropacocaine hydrochloride (637-23-0)

Guidance literature:

benzoyl chloride; pseudotropine; With potassium tert-butylate; In tetrahydrofuran; at 20 - 30 ℃; for 2.5h;

With hydrogenchloride; In tetrahydrofuran; diethyl ether; ethanol;

Reference yield: 81.0%

Tropacocaine hydrochloride (637-23-0) → Nortropacocaine (18470-33-2,20811-95-4,123202-90-4)

Guidance literature:

With sodium perchlorate; water; sodium carbonate; pH=10; pH-value; Electrochemical reaction; Green chemistry;

DOI:10.1039/d0gc00851f

Reference yield:

Tropacocaine hydrochloride (637-23-0) → tropacocain (537-26-8)

Guidance literature:

With ammonia; In water;

upstream raw materials:

benzoyl chloride

pseudotropine

Downstream raw materials:

tropacocain

Nortropacocaine

Refernces

• 1、 -. "NOVEL PHENOXAZIN-3-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS". Page/Page column 10. . Retrieved 2009/04/25.