1195949-26-8

Basic information

• Product Name: (s)-1-phenyl-1,2,3,4-tetrahydroisoquino-linecarbonylchloride
• Synonyms: (s)-1-phenyl-1,2,3,4-tetrahydroisoquino-linecarbonylchloride
• CAS NO: 1195949-26-8
• Molecular Formula: C₁₆H₁₄ClNO
• Molecular Weight: 271.74146
• Mol File: 1195949-26-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 432.0±45.0 °C(Predicted)
• Appearance: /
• Density: 1.248±0.06 g/cm3(Predicted)
• PKA: -2.73±0.40(Predicted)
• CAS DataBase Reference: (s)-1-phenyl-1,2,3,4-tetrahydroisoquino-linecarbonylchloride(CAS DataBase Reference)
• NIST Chemistry Reference: (s)-1-phenyl-1,2,3,4-tetrahydroisoquino-linecarbonylchloride(1195949-26-8)
• EPA Substance Registry System: (s)-1-phenyl-1,2,3,4-tetrahydroisoquino-linecarbonylchloride(1195949-26-8)

Safety Data

• Hazardous Substances Data: 1195949-26-8(Hazardous Substances Data)

Usage

General Description

(s)-1-phenyl-1,2,3,4-tetrahydroisoquinolinecarbonylchloride is a chemical compound with the molecular formula C16H15ClNO and a molar mass of 279.75 g/mol. It is a carbonyl chloride derivative of tetrahydroisoquinoline, which is a heterocyclic compound with potential pharmacological and therapeutic applications. The carbonyl chloride group makes it a reactive compound, capable of forming covalent bonds with other reactive groups in organic molecules. It may be used as a reagent in organic synthesis, particularly in the formation of amides and other nitrogen-containing compounds. Additionally, the phenyl group makes it a potential pharmacophore for biological activity, and it may have applications as a building block in the synthesis of pharmaceuticals and other bioactive compounds. Overall, (s)-1-phenyl-1,2,3,4-tetrahydroisoquinolinecarbonylchloride is a versatile and potentially valuable compound for use in organic synthesis and drug discovery.

Upstream product

• 75-44-5 phosgene 
• 22990-19-8 (S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline 
• 869884-00-4 (S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline tartarate 
• 32315-10-9 bis(trichloromethyl) carbonate 

Downstream Products

• 242478-37-1 solifenacin 

Relevant articles and documents

PROCESS FOR PRODUCING ORGANIC COMPOUND

The present disclosure provides a reaction of a chlorine-containing compound using a flow reactor which is less restricted by a solvent to be used. In the present disclosure, an organic compound is produced by supplying a reaction substrate having at least one functional group which can react with chlorine and is selected from the group consisting of hydroxy group, a thiol group, an amino group, a carboxyl group, a thiocarboxyl group, and an acid amide group, and a chlorine-containing compound to a flow reactor together with a trialkyl amine having 9 to 40 carbon atoms and an organic solvent, and allowing the reaction substrate and the chlorine-containing compound to react with each other.

PROCESS FOR THE PREPARATION OF SOLIFENACIN AND SOLIFENACIN SUCCINATE

A process for the preparation of solifenacin wherein all the reaction steps, starting from (i) release of (S) -I -phenyl- 1, 2,3, 4 - tetrahydroisoquinoline from its diastereoisomeric salt with D- (-) - tartaric acid, (ii) conversion of (S) - 1 -phenyl - 1, 2, 3, 4 - tetrahydroisoquinoline into 1 - (5) -phenyl - 1, 2, 3, 4 - tetrahydroisoquinolinecarbonyl chloride in the reaction with triphosgene in the presence of pyridine to (iii) the reaction between 1- (5) -phenyl - 1, 2, 3, 4 - tetrahydroisoquinolinecarbonyl chloride and 3- (S) - quinuclidinol in the presence of sodium hydride are carried out without the isolation of intermediates in solid form and the solvents used for the reactions are aprotic solvent. Resulting solifenacin in the free base form is converted into the corresponding succinic acid salt using methods known in the art.