2-Methylsulfanyl-benzooxazole-6-carboxylic acid methyl ester

Base Information

• Chemical Name: 2-Methylsulfanyl-benzooxazole-6-carboxylic acid methyl ester
• CAS No.: 1160490-11-8
• Molecular Formula: C10H9NO3S
• Molecular Weight: 223.25
• Hs Code.: 2934999090
• Mol file: 1160490-11-8.mol

Synonyms:2-METHYLSULFANYL-BENZOOXAZOLE-6-CARBOXYLIC ACID METHYL ESTER;

Chemical Property of 2-Methylsulfanyl-benzooxazole-6-carboxylic acid methyl ester

Chemical Property:

• Boiling Point: 349.4±34.0 °C(Predicted)
• PKA: -0.22±0.30(Predicted)
• PSA: 77.63000
• Density: 1.34±0.1 g/cm3(Predicted)
• LogP: 2.33630

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-(methylthio)benzo[d]oxazole-6-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Methylsulfanyl-benzooxazole-6-carboxylic acid methyl ester

There total 5 articles about 2-Methylsulfanyl-benzooxazole-6-carboxylic acid methyl ester 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: 93.8%

methyl 2-mercapto-1,3-benzoxazole-6-carboxylate (72752-81-9) + methyl iodide (74-88-4) → methyl 2-(methylthio)benzo[d]oxazole-6-carboxylate (1160490-11-8)

Guidance literature:

With potassium carbonate; In ethyl acetate; at 20 ℃; for 12h;

Reference yield: 87.0%

methyl 2-thioxo-2,3-dihydrobenzo[d]oxazole-5-carboxylate (72730-39-3) + methyl iodide (74-88-4) → methyl 2-(methylthio)benzo[d]oxazole-6-carboxylate (1160490-11-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 4h;

DOI:10.1002/anie.202112107

Reference yield:

methyl 3-amino-4-hydroxybenzoate (536-25-4) → methyl 2-(methylthio)benzo[d]oxazole-6-carboxylate (1160490-11-8)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 12 h / Reflux

2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 0 - 20 °C

With pyridine; potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1002/anie.202112107

upstream raw materials:

methyl 2-mercapto-1,3-benzoxazole-6-carboxylate

methyl iodide

4-aminosalicylic acid

3-hydroxy-4-aminobenzoic acid methyl ester

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