3-(2-Chloro-ethyl)-3H-benzothiazol-2-one

Base Information

• Chemical Name: 3-(2-Chloro-ethyl)-3H-benzothiazol-2-one
• CAS No.: 22258-71-5
• Molecular Formula: C₉H₈ClNOS
• Molecular Weight: 213.688
• NSC Number: 117368
• DSSTox Substance ID: DTXSID80297698
• Wikidata: Q82038989
• Mol file: 22258-71-5.mol

Synonyms:22258-71-5;3-(2-Chloro-ethyl)-3H-benzothiazol-2-one;3-(2-chloroethyl)-1,3-benzothiazol-2-one;NSC117368;BAS 00280986;3-(2-chloroethyl)-1,3-benzothiazol-2(3H)-one;SCHEMBL2149244;DTXSID80297698;AKOS000506124;NSC-117368;3-(beta-chloroethyl)benzothiazolin-2-one;3-(2-Chloroethyl)benzo[d]thiazol-2(3H)-one;AG-690/40144078

Chemical Property of 3-(2-Chloro-ethyl)-3H-benzothiazol-2-one

Chemical Property:

• Vapor Pressure: 3.22E-05mmHg at 25°C
• Refractive Index: 1.633
• Boiling Point: 355 °C at 760 mmHg
• Flash Point: 168.5 °C
• Density: 1.382 g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.0015127
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N(C(=O)S2)CCCl

Technology Process of 3-(2-Chloro-ethyl)-3H-benzothiazol-2-one

There total 8 articles about 3-(2-Chloro-ethyl)-3H-benzothiazol-2-one 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: 76.0%

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) + 2-chloro-ethanol (107-07-3) → 3-(β-chloroethyl)benzothiazolin-2-one (22258-71-5) + 2-imino-3-(β-hydroxyethyl)benzothiazoline (73901-09-4)

Guidance literature:

for 5h; Heating;

Reference yield: 55.0%

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) + 2-chloro-ethanol (107-07-3) → 3-(β-chloroethyl)benzothiazolin-2-one (22258-71-5) + 2-imino-3-(β-hydroxyethyl)benzothiazoline (73901-09-4) + bis[(3-β-hydroxyethyl)benzothiazolyl-2-indene]ammonium chloride

Guidance literature:

at 130 - 135 ℃; for 2h;

DOI:10.1007/BF02252113

Reference yield: 54.0%

1-chloro-2-iodoethane (624-70-4) + 2-hydroxybenzothiazole (934-34-9) → 3-(β-chloroethyl)benzothiazolin-2-one (22258-71-5)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 24h;

upstream raw materials:

3-(β-hydroxyethyl)benzothiazolin-2-one

2-amino-benzthiazole

2-chloro-ethanol

2-methylaminobenzthiazole

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