Benzoic acid, 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-6-yl)-, Methyl ester

Base Information

• Chemical Name: Benzoic acid, 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-6-yl)-, Methyl ester
• CAS No.: 1011716-97-4
• Molecular Formula: C14H11N3O3
• Molecular Weight: 269.26
• Hs Code.: 2933990090
• Mol file: 1011716-97-4.mol

Synonyms:Benzoic acid, 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-6-yl)-, Methyl ester

Chemical Property of Benzoic acid, 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-6-yl)-, Methyl ester

Chemical Property:

• Boiling Point: 560.5±60.0 °C(Predicted)
• PKA: 15.50±0.20(Predicted)
• PSA: 88.10000
• Density: 1.44±0.1 g/cm3(Predicted)
• LogP: 2.11710
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

Methyl4-(4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-6-yl)-, Methyl ester

There total 5 articles about Benzoic acid, 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-6-yl)-, 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: 85.6%

ethyl 2-amino-5-(4-(methoxycarbonyl)phenyl)-1H-pyrrole-3-carboxylate (1011716-95-2) + formamide (77287-34-4,77287-35-5,60100-09-6) → methyl 4-(4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate (1011716-97-4)

Guidance literature:

With formic acid; In N,N-dimethyl-formamide; at 150 ℃;

Reference yield: 63.0%

formic acid (64-18-6) + ethyl 2-amino-5-(4-(methoxycarbonyl)phenyl)-1H-pyrrole-3-carboxylate (1011716-95-2) → methyl 4-(4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate (1011716-97-4)

Guidance literature:

With formamide; In N,N-dimethyl-formamide; at 120 ℃; for 36h;

Reference yield: 62.7%

ethyl 2-amino-5-(4-(methoxycarbonyl)phenyl)-1H-pyrrole-3-carboxylate (1011716-95-2) → methyl 4-(4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate (1011716-97-4)

Guidance literature:

With formic acid; formamide; In N,N-dimethyl-formamide; at 150 ℃; for 16h;

upstream raw materials:

ethyl 2-amino-5-(4-(methoxycarbonyl)phenyl)-1H-pyrrole-3-carboxylate

formamide

methyl 4-(2-bromoacetyl)benzoate

formic acid

Downstream raw materials:

methyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate

4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid

[4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone

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