2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

Base Information

• Chemical Name: 2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
• CAS No.: 263239-23-2
• Molecular Formula: C9H6 Cl F N2 O S
• Molecular Weight: 244.677
• Hs Code.: 2934999090
• European Community (EC) Number: 830-250-3
• DSSTox Substance ID: DTXSID50368829
• Wikidata: Q82155674
• Mol file: 263239-23-2.mol

Synonyms:263239-23-2;2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide;2-chloro-N-(6-fluorobenzo[d]thiazol-2-yl)acetamide;2-Chloro-N-(6-fluoro-benzothiazol-2-yl)-acetamide;Acetamide,2-chloro-N-(6-fluoro-2-benzothiazolyl)-;SCHEMBL17251987;DTXSID50368829;STK289173;AKOS000283515;BB 0243188;CS-0221539;FT-0677761;EN300-09408;A911520;2-Chloro-N-(6-fluoro-benzothiazol-2-yl)-aceta mide;Z56346866

Chemical Property of 2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

Chemical Property:

• PKA: 8.24±0.70(Predicted)
• PSA: 70.23000
• Density: 1.579±0.06 g/cm3(Predicted)
• LogP: 2.68570
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 243.9873398
• Heavy Atom Count: 15
• Complexity: 256

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-N-(6-fluoro-benzothiazol-2-yl)-acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)SC(=N2)NC(=O)CCl

Technology Process of 2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

There total 4 articles about 2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide 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: 60.0%

2-amino-6-fluoro-1,3-benzothiazole (348-40-3) + chloroacetyl chloride (79-04-9) → 2-chloro-N-(6-fluorobenzo[d]thiazol-2-yl)acetamide (263239-23-2)

Guidance literature:

With potassium carbonate; In benzene; Reflux;

DOI:10.1016/j.ejmech.2012.03.033

Reference yield:

4-fluoroaniline (371-40-4) → 2-chloro-N-(6-fluorobenzo[d]thiazol-2-yl)acetamide (263239-23-2)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine; acetic acid / 13.75 h / 0 - 20 °C

2: potassium carbonate / acetonitrile / 18 h / Reflux

With bromine; potassium carbonate; acetic acid; In acetonitrile;

Reference yield:

BrH*C7H5FN2S → 2-chloro-N-(6-fluorobenzo[d]thiazol-2-yl)acetamide (263239-23-2)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium hydroxide / water / pH 11

2: potassium carbonate / benzene / 20 °C / Reflux

With ammonium hydroxide; potassium carbonate; In water; benzene;

DOI:10.1007/s00044-012-0026-x

upstream raw materials:

2-amino-6-fluoro-1,3-benzothiazole

chloroacetyl chloride

4-fluoroaniline

Downstream raw materials:

C₁₉H₁₉FN₄OS

4-(6-fluoro-1,3-benzothiazol-2-yl)amino-2-(4-hydroxyphenyl)amino-1,3-thiazole

4-(6-fluoro-1,3-benzothiazol-2-yl)amino-2-(4-methoxyphenyl)amino-1,3-thiazole

4-(6-fluoro-1,3-benzothiazol-2-yl)amino-2-phenylamino-1,3-thiazole