5-Benzothiazolecarboxylicacid,methylester(9CI)

Base Information

• Chemical Name: 5-Benzothiazolecarboxylicacid,methylester(9CI)
• CAS No.: 478169-65-2
• Molecular Formula: C9H7NO2S
• Molecular Weight: 193.226
• Hs Code.: 2934200090
• Mol file: 478169-65-2.mol

Synonyms:5-Benzothiazolecarboxylicacid,methylester(9CI)

Chemical Property of 5-Benzothiazolecarboxylicacid,methylester(9CI)

Chemical Property:

• PSA: 67.43000
• LogP: 2.08290
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

MethylBenzo[D]thiazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Benzothiazolecarboxylicacid,methylester(9CI)

There total 4 articles about 5-Benzothiazolecarboxylicacid,methylester(9CI) 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%

methanol (67-56-1) + 1,3-benzothiazole-5-carboxylic acid (68867-17-4) → methyl 1,3-benzothiazole-5-carboxylate (478169-65-2)

Guidance literature:

With thionyl chloride; at 60 ℃; for 2h; Inert atmosphere;

Reference yield: 50.0%

formic acid (64-18-6) + methyl 4-[[4-(methoxycarbonyl)-2-nitrophenyl]disulfanyl]-3-nitrobenzoate (35350-37-9) → methyl 1,3-benzothiazole-5-carboxylate (478169-65-2)

Guidance literature:

methyl 4-[[4-(methoxycarbonyl)-2-nitrophenyl]disulfanyl]-3-nitrobenzoate; With hydrogenchloride; tin; In ethanol; at 70 ℃; for 0.166667h;

formic acid; With zinc; at 100 ℃; for 1h;

DOI:10.1016/j.bmc.2006.09.019

Reference yield:

stannane (7440-31-5) + methyl 4-[[4-(methoxycarbonyl)-2-nitrophenyl]disulfanyl]-3-nitrobenzoate (35350-37-9) → methyl 1,3-benzothiazole-5-carboxylate (478169-65-2)

Guidance literature:

With hydrogenchloride; zinc; In formic acid; ethanol;

upstream raw materials:

formic acid

methyl 4-[[4-(methoxycarbonyl)-2-nitrophenyl]disulfanyl]-3-nitrobenzoate

methyl 3-nitro-4-chlorobenzoate

stannane

Downstream raw materials:

benzo[d]thiazol-5-ylmethanol

5-(chloromethyl)benzo[d]thiazole

1,3-benzothiazole-5-carboxylic acid

Refernces

• 1、 Walker, Daniel P.,Wishka, Donn G.,Piotrowski, David W.,Jia, Shaojuan,Reitz, Steven C.,Yates, Karen M.,Myers, Jason K.,Vetman, Tatiana N.,Margolis, Brandon J.,Jacobsen, E. Jon,Acker, Brad A.,Groppi, Vincent E.,Wolfe, Mark L.,Thornburgh, Bruce A.,Tinholt, Paula M.,Cortes-Burgos, Luz A.,Walters, Rodney R.,Hester, Matthew R.,Seest, Eric P.,Dolak, Lester A.,Han, Fusen,Olson, Barbara A.,Fitzgerald, Laura,Staton, Brian A.,Raub, Thomas J.,Hajos, Mihaly,Hoffmann, William E.,Li, Kai S.,Higdon, Nicole R.,Wall, Theron M.,Hurst, Raymond S.,Wong, Erik H.F.,Rogers, Bruce N.. "Design, synthesis, structure-activity relationship, and in vivo activity of azabicyclic aryl amides as α7 nicotinic acetylcholine receptor agonists". . p. 8219 - 8248. Retrieved 2007/10/03.