Methyl 4-(5'-nitro-6'-hydroxylbenzoxazol-2-yl)benzate

Base Information

• Chemical Name: Methyl 4-(5'-nitro-6'-hydroxylbenzoxazol-2-yl)benzate
• CAS No.: 133554-24-2
• Molecular Formula: C15H10N2O6
• Molecular Weight: 314.25
• Mol file: 133554-24-2.mol

Synonyms:Methyl 4-(5'-nitro-6'-hydroxylbenzoxazol-2-yl)benzate;Methyl4-(5'-nitro-6'-hydroxylbenzoxazol-2-yl)benozate

Chemical Property of Methyl 4-(5'-nitro-6'-hydroxylbenzoxazol-2-yl)benzate

Chemical Property:

• Refractive Index: 1.666
• Boiling Point: 459.6°Cat760mmHg
• Flash Point: 231.7°C
• PSA: 118.38000
• Density: 1.475g/cm³
• LogP: 3.41840

Purity/Quality:

98%min ^*data from raw suppliers

METHYL-4-(5-NITRO-6-HYDROXYBENZOXAZOL-2-YL)BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Methyl 4-(5'-nitro-6'-hydroxylbenzoxazol-2-yl)benzate

There total 1 articles about Methyl 4-(5'-nitro-6'-hydroxylbenzoxazol-2-yl)benzate 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: 78.0%

4-amino-6-nitroresorcinol hydrochloride (883566-55-0) + 4-Methoxycarbonylbenzoyl chloride (7377-26-6) → methyl 4-(6-hydroxy-5-nitrobenzo[d]oxazol-2-yl)benzoate (133554-24-2)

Guidance literature:

4-amino-6-nitroresorcinol hydrochloride; 4-Methoxycarbonylbenzoyl chloride; In diethylene glycol dimethyl ether; at 120 ℃; for 2h;

With polyphosphoric acid; In diethylene glycol dimethyl ether; at 140 ℃; for 3h;

Reference yield:

methyl 4-(6-hydroxy-5-nitrobenzo[d]oxazol-2-yl)benzoate (133554-24-2) → 4-(6-(mercapto)benzo[1,2-d:5,4-d']bisoxazole-2-yl)benzoic acid

Guidance literature:

Multi-step reaction with 2 steps

1.1: 5%-palladium/activated carbon; hydrogen / N,N-dimethyl-formamide / 40 - 60 °C / 7500.75 Torr

2.1: ethanol; potassium hydroxide / 20 °C / Cooling with ice

2.2: 70 - 80 °C

With ethanol; 5%-palladium/activated carbon; hydrogen; potassium hydroxide; In N,N-dimethyl-formamide;

Reference yield:

methyl 4-(6-hydroxy-5-nitrobenzo[d]oxazol-2-yl)benzoate (133554-24-2) → 4-(6-(methylmercapto)benzo[1,2-d:5,4-d']bisoxazole-2-yl)benzoic acid

Guidance literature:

Multi-step reaction with 3 steps

1.1: 5%-palladium/activated carbon; hydrogen / N,N-dimethyl-formamide / 40 - 60 °C / 7500.75 Torr

2.1: ethanol; potassium hydroxide / 20 °C / Cooling with ice

2.2: 70 - 80 °C

3.1: potassium carbonate / acetone / 20 °C

3.2: 20 °C

With ethanol; 5%-palladium/activated carbon; hydrogen; potassium carbonate; potassium hydroxide; In N,N-dimethyl-formamide; acetone;

upstream raw materials:

4-amino-6-nitroresorcinol hydrochloride

4-Methoxycarbonylbenzoyl chloride

Refernces