1-(2-Methylbenzo[d]thiazol-5-yl)ethanone

Base Information

• Chemical Name: 1-(2-Methylbenzo[d]thiazol-5-yl)ethanone
• CAS No.: 20077-88-7
• Molecular Formula: C₁₀H₉NOS
• Molecular Weight: 191.254
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID301287808
• Mol file: 20077-88-7.mol

Synonyms:1-(2-methylbenzo[d]thiazol-5-yl)ethanone;20077-88-7;1-(2-methyl-1,3-benzothiazol-5-yl)ethanone;SCHEMBL20481983;DTXSID301287808;AKOS006242085;1-(2-Methyl-5-benzothiazolyl)ethanone;CS-0120996;1-(2-Methylbenzo[d]thiazol-5-yl)ethan-1-one;1-(2-methyl-1,3-benzothiazol-5-yl)ethan-1-one;Z56765410

Chemical Property of 1-(2-Methylbenzo[d]thiazol-5-yl)ethanone

Chemical Property:

• Melting Point: 86 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 318.5±15.0 °C(Predicted)
• PKA: 0.55±0.10(Predicted)
• PSA: 58.20000
• Density: 1.241±0.06 g/cm3(Predicted)
• LogP: 2.80730
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 191.04048508
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Methylbenzo[d]thiazol-5-yl)ethanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(S1)C=CC(=C2)C(=O)C

Technology Process of 1-(2-Methylbenzo[d]thiazol-5-yl)ethanone

There total 6 articles about 1-(2-Methylbenzo[d]thiazol-5-yl)ethanone 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: 72.0%

5-bromo-2-methylbenzothiazole (63837-11-6) + tributyl(1-ethoxyvinyl)stannane (97674-02-7) → 1-(2-methylbenzo[d]thiazol-5-yl)ethan-1-one (20077-88-7)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; In toluene; at 90 ℃; for 16h;

Reference yield:

1-(2-methylbenzo[d]thiazol-5-yl)ethan-1-ol (20077-87-6) → 1-(2-methylbenzo[d]thiazol-5-yl)ethan-1-one (20077-88-7)

Guidance literature:

With chromium(VI) oxide; In acetic acid; for 0.5h; Heating;

Reference yield:

(2-methyl-1,3-benzothiazol-5-yl)methanol (32770-97-1) → 1-(2-methylbenzo[d]thiazol-5-yl)ethan-1-one (20077-88-7)

Guidance literature:

Multi-step reaction with 3 steps

1: CrO₃ / aq. acetic acid / Heating

2: diethyl ether / 1.5 h / Heating

3: CrO₃ / aq. acetic acid / 0.5 h / Heating

With chromium(VI) oxide; In diethyl ether; acetic acid;

upstream raw materials:

2-methyl-benzothiazole-5-carbonyl chloride

ethanol

diethyl malonate

1-(2-methylbenzo[d]thiazol-5-yl)ethan-1-ol

Downstream raw materials:

1-(2-methylbenzo[d]thiazol-5-yl)ethan-1-ol

Refernces

• 1、 -. "LINEAR GLYCOSIDASE INHIBITORS". Page/Page column 70-71. . Retrieved 2019/03/14.