1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid

Base Information

Chemical Name:1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid
CAS No.:92537-81-0
Molecular Formula:C₁₃H₁₀FN₃O₃S
Molecular Weight:307.305
Hs Code.:
DSSTox Substance ID:DTXSID70919115
Wikidata:Q82891552

Synonyms:BRN 4550383;1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid;1H-Pyrazole-4-acetic acid, 1-(6-fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-;2-(4'-Carboxymethyl-3'-methyl-5'-oxo-2'-pyrazolin-1'-yl)-6-fluorobenzothiazole;92537-81-0;C13H10FN3O3S;DTXSID70919115;C13-H10-F-N3-O3-S;LS-127956;[2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]acetic acid

Suppliers and Price of 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid

Chemical Property:

Vapor Pressure:1.52E-13mmHg at 25°C
Boiling Point:563.7°Cat760mmHg
Flash Point:294.7°C
Density:1.544g/cm³
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:307.04269053
Heavy Atom Count:21
Complexity:513

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=O)N(N1)C2=NC3=C(S2)C=C(C=C3)F)CC(=O)O

Technology Process of 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid

There total 3 articles about 1-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid 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: 52.0%

: 92537-76-3
2-(4'-Carbethoxymethyl-3'-methyl-5'-oxo-2'-pyrazolin-1'-yl)-6-fluorobenzothiazole

: 92537-81-0
2-(4'-Carboxymethyl-3'-methyl-5'-oxo-2'-pyrazolin-1'-yl)-6-fluorobenzothiazole

Guidance literature:: With sodium hydroxide; In methanol; for 3h; Heating;

Reference yield:

: 1115-30-6
diethyl acetylsuccinate

: 92537-81-0
2-(4'-Carboxymethyl-3'-methyl-5'-oxo-2'-pyrazolin-1'-yl)-6-fluorobenzothiazole

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / conc. HCl / ethanol / 4 h / Heating

2: 52 percent / 10percent aq. NaOH / methanol / 3 h / Heating

With hydrogenchloride; sodium hydroxide; In methanol; ethanol;

Reference yield:

: 78364-55-3
1-(6-fluorobenzo[d]thiazol-2-yl)hydrazine

: 92537-81-0
2-(4'-Carboxymethyl-3'-methyl-5'-oxo-2'-pyrazolin-1'-yl)-6-fluorobenzothiazole

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / conc. HCl / ethanol / 4 h / Heating

2: 52 percent / 10percent aq. NaOH / methanol / 3 h / Heating

With hydrogenchloride; sodium hydroxide; In methanol; ethanol;