6165-75-9

Basic information

• Product Name: PROPARGYL BENZENESULFONATE
• Synonyms: Benzenesulfonic acid 2-propynyl ester;prop-2-ynyl benzenesulfonate;Prop-2-yn-1-yl benzenesulfonate;Propargyl benzenesulfonate 96%;PROPARGYL BENZENESULFOTE;PROPARGYL BENZENESULFONATE;PROPARGYL BENZENESULPHONATE;prop-2-ynyl benzenesulphonate
• CAS NO: 6165-75-9
• Molecular Formula: C₉H₈O₃S
• Molecular Weight: 196.22
• EINECS: 228-203-1
• Product Categories: Organic Building Blocks;Sulfonates/Sulfinates;Sulfur Compounds
• Mol File: 6165-75-9.mol
• Article Data: 7

Chemical Properties

• Melting Point: −30 °C(lit.)
• Boiling Point: 140-142 °C2 mm Hg(lit.)
• Flash Point: 213 °F
• Appearance: /
• Density: 1.243 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.000377mmHg at 25°C
• Refractive Index: n20/D 1.525(lit.)
• Storage Temp.: 2-8°C
• BRN: 1107228
• CAS DataBase Reference: PROPARGYL BENZENESULFONATE(CAS DataBase Reference)
• NIST Chemistry Reference: PROPARGYL BENZENESULFONATE(6165-75-9)
• EPA Substance Registry System: PROPARGYL BENZENESULFONATE(6165-75-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• RIDADR: UN 1760 8/PG 2
• WGK Germany: 3
• F: 10
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 6165-75-9(Hazardous Substances Data)

Usage

Uses

Propargyl Benzenesulfonate is a general chemical reagent used in organic syntheses. Used in the manufacture of Omarigliptin, a DPP-4 inhibitor used in the treatment of type-2 diabetes.

InChI:InChI=1/C9H8O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h1,3-7H,8H2

Upstream product

• 107-19-7 propargyl alcohol 
• 98-09-9 benzenesulfonyl chloride 

Downstream Products

• 17061-85-7 1-nitro-4-(prop-2-ynyloxy)benzene 
• 26557-77-7 N-(4-(prop-2-yn-1-yloxy)phenyl)acetamide 
• 18158-68-4 N,N-di(prop-2-yn-1-yl)aniline 
• 20009-28-3 naphth-2-yloxymethylacetylene 
• 13610-02-1 1-phenoxy-2-propyne 
• 22774-64-7 N-propargyl-4-methylaniline 
• 22774-67-0 4-chloro-N-prop-2-ynylaniline 
• 22774-35-2 4-chloro-N,N-di(prop-2-ynyl)benzenamine 
• 22774-66-9 N-propargyl-p-methoxyaniline 
• 22774-34-1 4-methoxy-N,N-di(prop-2-ynyl)benzenamine 
• 5651-88-7 phenyl propargyl sulfide 
• 14465-74-8 N-phenyl-N-prop-2-ynylamine 
• 22774-65-8 2,4-dimethyl-N-prop-2-ynyl-aniline 
• 22774-33-0 Dipropargyl-(2,4-dimethylphenyl)-amin 

Relevant articles and documents

Green one-pot four-component synthesis of 3,5-disubstituted isoxazoles- sulfonates and sulfonamides using a combination of NaDCC as metal-free catalyst and ultrasonic activation in water

A simple and green one-pot reaction has been proposed for the synthesis of novel 3,5-disubstituted isoxazole-sulfonates and -sulfonamides (5a-j) in water under ultrasound irradiation. The methodology is based on the use of safe and environmentally friendly reagents and allows, via in-situ 1,3-dipolar cycloaddition, an easy access to functionalized heterocycles with the creation of four new bonds (S[sbnd]O, C[sbnd]N, C[sbnd]O and C[sbnd]C). Comparison studies using classical magnetic stirring and ultrasound irradiation clearly showed that sonication promoted clean transformation, high yields (72–89%) and faster reactions (20–28 min). All the synthesized compounds were fully characterized by MS-ES, 1H NMR, 13C NMR spectroscopy and HPLC analysis.

Green synthesis method of prop-2-yn-1-yl benzenesulfonate

The invention discloses a green synthesis method of prop-2-yn-1-yl benzenesulfonate. The method is characterized in that benzene sulfonyl chloride and propargyl alcohol are taken as raw materials, a reaction is promoted by taking inorganic base as an acid capture agent in an aqueous phase, so as to obtain a high-purity target product; the method has the advantages that the related reaction conditions are mild, the yield is high, operation is simple and convenient, the green and environmental protection effects are realized, and large-scale production is promoted.

PROCESS FOR THE PREPARATION OF ENATIOMERICALLY PURE 1-AMINOINDAN

The present invention relates to a process for the preparation of optically pure ( R) -1-aminoindan by a diastereomeric resolution of 1-aminoindan using N-acetyl-L-glutamic acid as a resolving agent. In another aspect, the invention relates to diastereomeric salts of (R) -1-aminoindan with N-acetyl-L-glutamic acid, and their use in the process for the preparation of rasagiline.