Propargyl mesylate

Base Information

• Chemical Name: Propargyl mesylate
• CAS No.: 16156-58-4
• Molecular Formula: C4H6 O3 S
• Molecular Weight: 134.156
• Hs Code.: 2905290000
• European Community (EC) Number: 808-222-7
• NSC Number: 203079
• DSSTox Substance ID: DTXSID70308323
• Nikkaji Number: J659.232E
• Wikidata: Q82056135
• Mol file: 16156-58-4.mol

Synonyms:16156-58-4;propargyl mesylate;prop-2-ynyl methanesulfonate;Propargyl Methanesulfonate Ester;2-Propyn-1-ol, 1-methanesulfonate;2-Propyn-1-ol, methanesulfonate;prop-2-yn-1-yl methanesulfonate;2-propynyl methanesulfonate;MFCD09841205;Propargyl Methanesulfonate Ester, 95per cent;Propargyl methanesulfonate ester,95;METHANESULFONIC ACID PROP-2-YNYL ESTER;NSC203079;Propargyl Methanesulfonate Ester, 95%;propargyl methanesulfonate;Propargyl methane sulfonate;2-propinyl methanesulfonate;PropargylMethanesulfonateEster;SCHEMBL433017;Prop-2-yn-1-ylmethanesulfonate;DTXSID70308323;OWAHJGWVERXJMI-UHFFFAOYSA-N;2-propyn-1-ol 1-methanesulfonate;BCP27865;AKOS006329411;NSC-203079;s11862;BS-52439;CS-0158537;FT-0674061;EN300-206238;J-009839;2-Propynyl methanesulfonate, >=99.5%, acid <200 ppm, H2O <100 ppm;methanesulfonic acid prop-2-ynyl ester;Propargyl Mesylate;2-Propynyl methanesulfonate;Propargyl methylsulfonate

Chemical Property of Propargyl mesylate

Chemical Property:

• Vapor Pressure: 0.042mmHg at 25°C
• Refractive Index: 1.459
• Boiling Point: 246.7°Cat760mmHg
• Flash Point: 103°C
• PSA: 51.75000
• Density: 1.268g/cm³
• LogP: 0.67660
• Storage Temp.: Hygroscopic, Store under Inert atmosphere Refrigerator
• Solubility.: Chloroform, Ethyl Acetate, Methanol
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 134.00376522
• Heavy Atom Count: 8
• Complexity: 187

Purity/Quality:

99.9% ^*data from raw suppliers

PropargylMethanesulfonateEster,95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCC#C
• Uses: Propargyl Methanesulfonate Ester, 95% (cas# 16156-58-4) is a compound useful in organic synthesis.

Technology Process of Propargyl mesylate

There total 2 articles about Propargyl mesylate 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: 100.0%

propargyl alcohol (107-19-7) + methanesulfonyl chloride (124-63-0) → prop-2-yn-1-ol methanesulfonate (16156-58-4)

Guidance literature:

With triethylamine; In dichloromethane; at -15 ℃; for 1h; Green chemistry;

DOI:10.1039/c8ob01896k

Reference yield:

→ prop-2-yn-1-ol methanesulfonate (16156-58-4)

Guidance literature:

DOI:10.1021/jo01270a020

Reference yield: 100.0%

prop-2-yn-1-ol methanesulfonate (16156-58-4) + phenol (108-95-2,27073-41-2) → 1-phenoxy-2-propyne (13610-02-1)

Guidance literature:

With caesium carbonate; potassium iodide; In acetonitrile; at 70 ℃;

DOI:10.1016/j.bmcl.2012.08.067

upstream raw materials:

propargyl alcohol

methanesulfonyl chloride

Downstream raw materials:

N-propargylphthalimide

N-(3-butynyl)phthalimide

propargyl bromide

(±)-1-phenyloct-3-yn-1-ol

Refernces

• 1、 Guimar?es, Keller G.,De Freitas, Rossimiriam P.,Ruiz, Ana L.T.G.,Fiorito, Giovanna F.,De Carvalho, Jo?o E.,Da Cunha, Elaine F.F.,Ramalho, Teodorico C.,Alves, Rosemeire B.. "Synthesis, antiproliferative activities, and computational evaluation of novel isocoumarin and 3,4-dihydroisocoumarin derivatives". . p. 103 - 113. Retrieved 2016.
• 2、 Semioskkin,Inyushin,Ermanson,Petrovskii,Lemmen,Bregadze. "Interactions of carborane-containing electrophiles with triethyl phosphite. Synthesis of new carborane-containing phosphonates". . p. 1985 - 1988. Retrieved 1998.
• 3、 Xie, Li-Jun,Lin, Cui-Lian,Liu, Li,Cheng, Liang. "A chemical labeling of N6-formyl adenosine (f6A) RNA". supporting information. p. 1563 - 1566. Retrieved 2021/10/06.
• 4、 Talha, Aicha,Tachallait, Hamza,Benhida, Rachid,Bougrin, Khalid. "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". supporting information. . Retrieved 2021/09/13.