4-Thiazolecarboxylic acid,4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-

Base Information

• Chemical Name: 4-Thiazolecarboxylic acid,4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-
• CAS No.: 20240-21-5
• Molecular Formula: C11H8N2O3S2
• Molecular Weight: 280.32282
• Hs Code.: 2934999090
• Mol file: 20240-21-5.mol

Synonyms:4-Thiazolecarboxylic acid,4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-;2-(6-hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid

Chemical Property of 4-Thiazolecarboxylic acid,4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-

Chemical Property:

• Melting Point: 196 °C (decomp)
• Boiling Point: 587.6±60.0 °C(Predicted)
• PKA: 8.31±0.40(Predicted)
• PSA: 136.32000
• Density: 1.81±0.1 g/cm3(Predicted)
• LogP: 1.38410

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(6-Hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Thiazolecarboxylic acid,4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-

There total 15 articles about 4-Thiazolecarboxylic acid,4,5-dihydro-2-(6-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:

ethyl 4'-methoxyoxanilate (18522-99-1) → D-luciferin (20240-21-5)

Guidance literature:

Multi-step reaction with 6 steps

1: (i) P₂S₅, xylene, (ii) K₃, aq. NaOH

2: HCl

3: NH₃ / methanol

4: POCl₃

5: Py*HCl / 200 °C

With hydrogenchloride; ammonia; pyridine hydrochloride; trichlorophosphate; In methanol;

DOI:10.1021/ja00886a019

Reference yield:

6-methoxybenzo[d]thiazol-2-carboxylic acid (946-13-4) → D-luciferin (20240-21-5)

Guidance literature:

Multi-step reaction with 5 steps

1: HCl

2: NH₃ / methanol

3: POCl₃

4: Py*HCl / 200 °C

With hydrogenchloride; ammonia; pyridine hydrochloride; trichlorophosphate; In methanol;

DOI:10.1021/ja00886a019

Reference yield:

luciferin ethoxyvinyl ester (73918-23-7) → D-luciferin (20240-21-5)

Guidance literature:

With potassium phenolate; In dimethyl sulfoxide; under high vacuum;

DOI:10.1021/ja00529a051

upstream raw materials:

2-(6'-hydroxybenzothiazolyl)-4-hydroxythiazole

L-Cysteine

rac-cysteine

2-cyano-6-hydroxybenzothiazole

Downstream raw materials:

2-(6’-hydroxy-2'-benzothiazolyl)-thiazole-4-carboxylic acid

phenyl 2-(6'-trifluoroacetoxy-2'-benzothiazolyl)-Δ²-thiazoline-4-carboxylate

Refernces

• 1、 Suzuki,N. et al.. "-". . p. 4065 - 4074. Retrieved 1972.
• 2、 Seto et al.. "-". . p. 331. Retrieved 1963.
• 3、 White, Emil H.,Steinmetz, Mark G.,Miano, Jeffrey D.,Wildes, Peter D.,Morland, Robert. "Chemi- and Bioluminescence of Firefly Luciferin". . p. 3199 - 3208. Retrieved 2007/10/02.