1H-Pyrrolo[2,3-d]pyrimidine-5-carboxylicacid,2-amino-4,7-dihydro-4-oxo-,

Base Information

• Chemical Name: 1H-Pyrrolo[2,3-d]pyrimidine-5-carboxylicacid,2-amino-4,7-dihydro-4-oxo-,
• CAS No.: 124738-76-7
• Molecular Formula: C₈H₈N₄O₃
• Molecular Weight: 208.177
• Hs Code.: 2933990090
• Mol file: 124738-76-7.mol

Synonyms:1H-Pyrrolo[2,3-d]pyrimidine-5-carboxylicacid, 2-amino-4,7-dihydro-4-oxo-, methyl ester (9CI)

Chemical Property of 1H-Pyrrolo[2,3-d]pyrimidine-5-carboxylicacid,2-amino-4,7-dihydro-4-oxo-,

Chemical Property:

• Boiling Point: 356.7 °C at 760 mmHg
• Flash Point: 169.5 °C
• PSA: 124.86000
• Density: 1.53 g/cm³
• LogP: 0.11280

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Pyrrolo[2,3-d]pyrimidine-5-carboxylicacid,2-amino-4,7-dihydro-4-oxo-,

There total 3 articles about 1H-Pyrrolo[2,3-d]pyrimidine-5-carboxylicacid,2-amino-4,7-dihydro-4-oxo-, 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: 62.0%

methyl 2-chloro-3-oxopropionate (20656-61-5) + 2,6-diamino-3H-pyrimidin-4-one (100643-27-4,143504-99-8) → methyl 2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylate (124738-76-7)

Guidance literature:

With sodium acetate; at 100 ℃; for 2h;

DOI:10.1021/jm0100382

Reference yield: 50.0%

methyl 2-chloro-3-oxopropionate (20656-61-5) + 2,6-diamino-3H-pyrimidin-4-one (100643-27-4,143504-99-8) → methyl 2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylate (124738-76-7) + 2,4-Diamino-furo[2,3-d]pyrimidine-6-carboxylic acid methyl ester

Guidance literature:

With sodium acetate; In water; for 1h;

DOI:10.1039/c39890000560

Reference yield: 47.0%

Methyl formate (107-31-3) + methyl chloroacetate (96-34-4) + 2,6-diaminopyrimidin-4-ol (56-06-4) → methyl 2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylate (124738-76-7)

Guidance literature:

Methyl formate; methyl chloroacetate; With sodium methylate; In tetrahydrofuran; at 0 - 20 ℃;

2,6-diaminopyrimidin-4-ol; In water; for 1h; Reflux;

DOI:10.1002/cbic.202100411

upstream raw materials:

methyl 2-chloro-3-oxopropionate

2,6-diamino-3H-pyrimidin-4-one

Methyl formate

methyl chloroacetate

Downstream raw materials:

2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

2-Amino-4-chloro-7-[(2R,4S,5R)-4-(4-methyl-benzoyloxy)-5-(4-methyl-benzoyloxymethyl)-tetrahydro-furan-2-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid methyl ester

C₂₈H₂₄ClN₅O₅