Propylene sulfite

Base Information

• Chemical Name: Propylene sulfite
• CAS No.: 1469-73-4
• Molecular Formula: C₃H₆O₃S
• Molecular Weight: 122.145
• Hs Code.: 2934999090
• European Community (EC) Number: 621-493-4
• NSC Number: 525703,44145
• DSSTox Substance ID: DTXSID80932956
• Nikkaji Number: J1.572.858B,J54.365I
• ChEMBL ID: CHEMBL1980710
• Mol file: 1469-73-4.mol

Synonyms:1469-73-4;Propylene sulfite;4-Methyl-1,3,2-dioxathiolane 2-oxide;Cyclic propylene sulfite;Propane-1,2-cyclic sulfite;1,3,2-Dioxathiolane, 4-methyl-, 2-oxide;1,2-Propylene glycol sulfite;1,2-Propanediol sulfite;Propylene sulfite (C3H6O2)SO;Sulfurous acid, cyclic propylene ester;1,2-Propanediol, cyclic sulfite;NSC 44145;Propane 1,2-Cyclic Sulfite;NSC 525703;40811-14-1;1,2-Propyleneglycol Sulfite;SULFUROUS ACID, CYCLIC ESTER with 1,2-PROPANEDIOL;AI3-22919;WLN: T6OSOTJ BO;4-METHYL-1,3,2??-DIOXATHIOLAN-2-ONE;Sulfurous acid,2-propanediol;1,3,2-Dioxathiolane, 4-methyl-, 2-oxide, trans-;1,2-Dioxathiolane, 4-methyl-, 2-oxide;4-Methyl-2-oxo-1,3,2-dioxathiolane;1,2-propylene sulfite;SCHEMBL126716;1,2-Propanediol Cyclic Sulfite;CHEMBL1980710;DTXSID80932956;NSC44145;MFCD00041209;NSC-44145;NSC525703;1,2-Propyleneglycol sulfite >=98%;AKOS006273771;1,2-Propyleneglycol sulfite, >=98%;4-Methyl-1,3,2-dioxathiolane2-oxide;NSC-525703;AS-64052;NCI60_004285;4-Methyl-1,3,2-dioxathiolane 2-oxide #;LS-148256;M2471;4-Methyl-1,3,2lambda~4~-dioxathiolan-2-one;D91602;4-Methyl-1,3-dioxa-2-thia(IV)cyclopentan-2-one;A884475

Chemical Property of Propylene sulfite

Chemical Property:

• Vapor Pressure: 1.57mmHg at 25°C
• Refractive Index: 1.4602 (589.3 nm 25℃)
• Boiling Point: 175 °C at 760 mmHg
• Flash Point: 56.6 °C
• PSA: 54.74000
• Density: 1.46 g/cm³
• LogP: 0.86610
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 122.00376522
• Heavy Atom Count: 7
• Complexity: 92.2

Purity/Quality:

99% ^*data from raw suppliers

4-Methyl-1,3,2-dioxathiolane 2-Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1COS(=O)O1
• Uses: 4-Methyl-1,3,2-dioxathiolane 2-Oxide (mixture of isomers) is used in the preparation of deep eutectic solvents in SO2 cycloaddition reactions. Propyleneglycol sulfite has been studied as a film-forming electrolyte additive for use in lithium ion battery electrolytes. It is also used as a solvent for making non-aqueous electrolytes for lithium ion and lithium sulfur batteries.

Technology Process of Propylene sulfite

There total 4 articles about Propylene sulfite 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: 96.0%

methyloxirane (75-56-9,16033-71-9) → 4-methyl-2-oxo-1,3,2-dioxathiolane (1469-73-4,20772-55-8,20772-56-9,40811-14-1,40811-15-2,51260-40-3,51260-41-4)

Guidance literature:

With sulfur dioxide; at 100 ℃; for 48h; Pressure vessel; Neat (no solvent);

DOI:10.1002/cssc.201100492

Reference yield: 95.0%

propylene glycol (57-55-6,63625-56-9) → 4-methyl-2-oxo-1,3,2-dioxathiolane (1469-73-4,20772-55-8,20772-56-9,40811-14-1,40811-15-2,51260-40-3,51260-41-4)

Guidance literature:

With thionyl chloride; In dichloromethane;

DOI:10.3390/10091169

Reference yield:

methyloxirane (75-56-9,16033-71-9) → 2-ethyl-4-methyl-1,3-dioxolane (4359-46-0) + 4-methyl-2-oxo-1,3,2-dioxathiolane (1469-73-4,20772-55-8,20772-56-9,40811-14-1,40811-15-2,51260-40-3,51260-41-4)

Guidance literature:

With sulfur dioxide; at 100 ℃; for 96h; Pressure vessel; Neat (no solvent);

DOI:10.1002/cssc.201100492

upstream raw materials:

propylene glycol

methyloxirane

Downstream raw materials:

4-methyl-[1,3,2]dioxathiolane 2,2-dioxide

Refernces

• 1、 Karan, Chandane Kumar,Bhattacharjee, Manish. "A Copper Metal–Organic Hydrogel as a Catalyst for SO2 and CO2 Fixation under Ambient Conditions". . p. 3605 - 3611. Retrieved 2019/08/20.
• 2、 Venkatraman, Srikanth,Velazquez, Francisco,Wu, Wanli,Blackman, Melissa,Madison, Vincent,Njoroge, F. George. "Potent ketoamide inhibitors of HCV NS3 protease derived from quaternized P1 groups". scheme or table. p. 2151 - 2155. Retrieved 2010/06/19.