2-Isopropyl-1,3-dithiolane

Base Information

• Chemical Name: 2-Isopropyl-1,3-dithiolane
• CAS No.: 26733-24-4
• Molecular Formula: C₆H₁₂S₂
• Molecular Weight: 148.293
• NSC Number: 193356
• UNII: N1LQ3M3CQT
• DSSTox Substance ID: DTXSID20181244
• Nikkaji Number: J91.164J
• Wikidata: Q83051852
• Mol file: 26733-24-4.mol

Synonyms:2-Isopropyl-1,3-dithiolane;1,3-DITHIOLANE, 2-ISOPROPYL-;26733-24-4;N1LQ3M3CQT;NSC 193356;BRN 1420961;NSC-193356;2-isopropyl-[1,3]dithiolane;NSC193356;UNII-N1LQ3M3CQT;C(C)(C)C1SCCS1;SCHEMBL3091772;DTXSID20181244;CMOLCULWXQDIMM-UHFFFAOYSA-N;2-(1-methylethyl)-1,3-dithiolane;1,3-Dithiolane, 2-(1-methylethyl)-;LS-63269

Chemical Property of 2-Isopropyl-1,3-dithiolane

Chemical Property:

• Vapor Pressure: 0.341mmHg at 25°C
• Boiling Point: 206.4°C at 760 mmHg
• Flash Point: 76.3°C
• Density: 1.06g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 148.03804273
• Heavy Atom Count: 8
• Complexity: 64.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1SCCS1

Technology Process of 2-Isopropyl-1,3-dithiolane

There total 3 articles about 2-Isopropyl-1,3-dithiolane 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: 95.0%

ethane-1,2-dithiol (540-63-6) + isobutyraldehyde (78-84-2) → 2-Isopropyl-1,3-dithiolan (26733-24-4)

Guidance literature:

With indium(III) bromide; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/S0040-4039(00)01741-X

Reference yield: 95.0%

isobutyraldehyde diethyl acetal (1741-41-9) + ethane-1,2-dithiol (540-63-6) → 2-Isopropyl-1,3-dithiolan (26733-24-4)

Guidance literature:

With diethyl ether; lithium perchlorate; at 28 ℃; for 0.333333h;

DOI:10.1021/jo00095a049

Reference yield: 73.0%

ethane-1,2-dithiol (540-63-6) + 2-Methylpropane-1,1-diyl bis(trifluoromethanesulfonate) (109318-00-5) → 2-Isopropyl-1,3-dithiolan (26733-24-4)

Guidance literature:

In diethyl ether; for 12h; Heating;

DOI:10.1055/s-1987-27839

upstream raw materials:

isobutyraldehyde diethyl acetal

ethane-1,2-dithiol

2-Methylpropane-1,1-diyl bis(trifluoromethanesulfonate)

isobutyraldehyde

Refernces

• 1、 Ceschi,De Araujo Felix,Peppe. "Indium tribromide-catalyzed chemoselective dithioacetalization of aldehydes in non-aqueous and aqueous media". . p. 9695 - 9699. Retrieved 2007/10/03.
• 2、 Saraswathy, V. Geetha,Sankararaman, S.. "Chemoselective Protection of Aldehydes as Dithioacetals in Lithium Perchlorate-Diethyl Ether Medium. Evidence for the Formation of Oxocarbenium Ion Intermediate from Acetals". . p. 4665 - 4670. Retrieved 2007/10/02.