Acetamide, N-(4-hydroxy-2-benzothiazolyl)-

Base Information

• Chemical Name: Acetamide, N-(4-hydroxy-2-benzothiazolyl)-
• CAS No.: 20600-52-6
• Molecular Formula: C9H8N2O2S
• Molecular Weight: 208.241
• Hs Code.: 2934999090
• European Community (EC) Number: 606-587-5
• DSSTox Substance ID: DTXSID601279014
• Nikkaji Number: J101.781K
• ChEMBL ID: CHEMBL4798633
• Mol file: 20600-52-6.mol

Synonyms:20600-52-6;Acetamide, N-(4-hydroxy-2-benzothiazolyl)-;acetamide,N-(4-hydroxy-2-benzothiazolyl)-;N-(4-hydroxybenzo[d]thiazol-2-yl)acetamide;CHEMBL4798633;SCHEMBL1040815;DTXSID601279014;2-(Acetylamino)benzothiazole-4-ol;BDBM50548152;N-(4-Hydroxy-2-benzothiazolyl)acetamide;N-(4-hydroxybenzo-thiazol-2-yl)-acetamide;CS-0368680;N-(4-Hydroxy-1,3-benzothiazol-2-yl)acetamide #

Chemical Property of Acetamide, N-(4-hydroxy-2-benzothiazolyl)-

Chemical Property:

• PSA: 90.46000
• LogP: 2.03330
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 208.03064868
• Heavy Atom Count: 14
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=NC2=C(C=CC=C2S1)O

Technology Process of Acetamide, N-(4-hydroxy-2-benzothiazolyl)-

There total 5 articles about Acetamide, N-(4-hydroxy-2-benzothiazolyl)- 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: 98.0%

acetic acid 2-acetylamino-benzothiazol-4-yl ester (659731-49-4) → N-(4-hydroxybenzo[d]thiazol-2-yl)acetamide (20600-52-6)

Guidance literature:

With methanol; potassium carbonate; at 20 ℃; for 6h;

DOI:10.1021/jm070191h

Reference yield: 90.0%

acetic acid 2-acetylamino-benzothiazol-4-yl ester (659731-49-4) → 2-amino-4-hydroxybenzothiazole (7471-03-6) + N-(4-hydroxybenzo[d]thiazol-2-yl)acetamide (20600-52-6)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 85 ℃;

DOI:10.1021/jo8002216

Reference yield:

2-amino-4-hydroxybenzothiazole (7471-03-6) → N-(4-hydroxybenzo[d]thiazol-2-yl)acetamide (20600-52-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / toluene / 22 h / 115 °C

2: 98 percent / K₂CO₃; methanol / 6 h / 20 °C

With methanol; potassium carbonate; In toluene;

DOI:10.1021/jm070191h

upstream raw materials:

acetic acid 2-acetylamino-benzothiazol-4-yl ester

2-amino-4-hydroxybenzothiazole

2-hydroxyphenylthiourea

2-amino-phenol

Downstream raw materials:

(2S)-tert-butyl 2-((2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenyl)carbamoyl)pyrrolidine-1-carboxylate

C₂₅H₂₃F₃N₆O₃S

AMG 8163

N-{4-[2-chloro-6-(4-trifluoromethyl-phenyl)-pyrimidin-4-yloxy]-benzothiazol-2-yl}-acetamide