1,2-Benzisothiazoline-3-acetic acid, isopropyl ester, 1,1-dioxide

Base Information

• Chemical Name: 1,2-Benzisothiazoline-3-acetic acid, isopropyl ester, 1,1-dioxide
• CAS No.: 23274-76-2
• Molecular Formula: C₁₂H₁₅NO₄S
• Molecular Weight: 269.321
• NSC Number: 372520
• Mol file: 23274-76-2.mol

Synonyms:23274-76-2;BRN 1004828;NSC372520;1,2-Benzisothiazoline-3-acetic acid, isopropyl ester, 1,1-dioxide;NSC 372520;NSC-372520;1,2-Benzisothiazole-3-acetic acid, 2,3-dihydro-, 1-methylethyl ester,1,1-dioxide

Chemical Property of 1,2-Benzisothiazoline-3-acetic acid, isopropyl ester, 1,1-dioxide

Chemical Property:

• Vapor Pressure: 5.14E-06mmHg at 25°C
• Boiling Point: 381.3°Cat760mmHg
• Flash Point: 184.4°C
• Density: 1.269g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 269.07217913
• Heavy Atom Count: 18
• Complexity: 412

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)CC1C2=CC=CC=C2S(=O)(=O)N1

Technology Process of 1,2-Benzisothiazoline-3-acetic acid, isopropyl ester, 1,1-dioxide

There total 1 articles about 1,2-Benzisothiazoline-3-acetic acid, isopropyl ester, 1,1-dioxide 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:

3t-(2-sulfo-phenyl)-acrylic acid; monosodium salt + isopropyl alcohol (67-63-0,8013-70-5) → (1,1-dioxo-2,3-dihydro-1H-1λ6-benzo[d]isothiazol-3-yl)-acetic acid isopropyl ester (23274-76-2)

Guidance literature:

Multistep reaction; (i) SOCl₂, DMF, Et₂O, (ii) /BRN= 635639/, (iii) aq. NH₃;

DOI:10.1002/jps.2600580528

upstream raw materials:

isopropyl alcohol