2-Isopropyl-1,3-oxathiolane

Base Information

• Chemical Name: 2-Isopropyl-1,3-oxathiolane
• CAS No.: 17643-70-8
• Molecular Formula: C6H12OS
• Molecular Weight: 132.227
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80938796
• Nikkaji Number: J49.920J
• Mol file: 17643-70-8.mol

Synonyms:2-Isopropyl-1,3-oxathiolane;2-propan-2-yl-1,3-oxathiolane;17643-70-8;BRN 0102812;1,3-OXATHIOLANE, 2-ISOPROPYL-;2-Isopropyl-1,3-oxothiolane;SCHEMBL11250642;DTXSID80938796;2-(Propan-2-yl)-1,3-oxathiolane;1,3-Oxathiolane, 2-(1-methylethyl)-;LS-99700

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

Chemical Property:

• Vapor Pressure: 0.972mmHg at 25°C
• Boiling Point: 185.1°Cat760mmHg
• Flash Point: 65.7°C
• PSA: 34.53000
• Density: 1.006g/cm³
• LogP: 1.73190
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 132.06088618
• Heavy Atom Count: 8
• Complexity: 72.9

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1OCCS1

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

There total 1 articles about 2-Isopropyl-1,3-oxathiolane 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: 97.0%

isobutyraldehyde (78-84-2) + 2-hydroxyethanethiol (60-24-2) → 2-isopropyl-1,3-oxathiolane (17643-70-8)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 20 ℃; for 0.166667h;

Reference yield:

2-isopropyl-1,3-oxathiolane (17643-70-8) → chloroform (67-66-3,8013-54-5) + hexachloroethane (67-72-1) + 2-chloroethyl thioisobutyrate (33951-13-2)

Guidance literature:

With tetrachloromethane; di-tert-butyl peroxide; at 120 ℃; Kinetics; Mechanism; Thermodynamic data; other temperature; various molar ratios of the reagents;

Reference yield:

2-isopropyl-1,3-oxathiolane (17643-70-8) → ethyl thioacetate (625-60-5) + ethyl β-methylthiopropionate (2432-50-0)

Guidance literature:

With 2-methyl-1,3-oxathiolane; di-tert-butyl peroxide; In chlorobenzene; at 130 ℃; under 750.06 Torr; Rate constant; var. pressure (250, 500, 750 MPa);

upstream raw materials:

isobutyraldehyde

2-hydroxyethanethiol

Downstream raw materials:

2-Isobutyloxy-ethylmercaptan

chloroform

hexachloroethane

2-chloroethyl thioisobutyrate

Refernces

• 1、 Jin, Tong-Shou,Zhao, Rui-Qiao,Ma, Yan-Ran,Yang, Mi-Na,Guo, Jun-Jie,Li, Tong-Shuang. "An efficient and chemoselective method for conversion of carbonyl compounds to 1,3-oxathiolanes with 2-mercaptoethanol catalyzed by TiCl 4-montmorillonite". . p. 503 - 505. Retrieved 2007/10/03.
• 2、 Zorin, V. V.,Batyrbaev, N. A.,Zlot-skii, S. S.,Rakhmankulov, D. L.. "ACTIVITY OF 1-OXA-3-THIACYCLOALKANES AND 2-ALKYLTHIOOXACYCLANES IN FREE-RADICAL ISOMERIZATION". . p. 347 - 352. Retrieved 2007/10/02.