Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid

Base Information

• Chemical Name: Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid
• CAS No.: 251102-27-9
• Molecular Formula: C₈H₆N₂O₂
• Molecular Weight: 162.148
• Hs Code.: 2933990090
• European Community (EC) Number: 846-752-0
• DSSTox Substance ID: DTXSID40478209
• Wikidata: Q72505694
• Mol file: 251102-27-9.mol

Synonyms:Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid;251102-27-9;1H-PYRROLO[1,2-F]PYRIMIDINE-3-CARBOXYLIC ACID;MFCD09878579;Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid (9CI);SCHEMBL1758975;DTXSID40478209;OAZGQWMFODAEEV-UHFFFAOYSA-N;SC1421;AKOS006280994;AM803581;AS-65462;SY006803;CS-0082383;FT-0646063;EN300-103718;W-206927;Z1198235526

Chemical Property of Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid

Chemical Property:

• Melting Point: 246-248 °C(Solv: ethanol (64-17-5))
• PKA: -3.82±0.41(Predicted)
• PSA: 54.60000
• Density: 1.418 g/cm³
• LogP: 1.03250
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.042927438
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

pyrrolo[1,2-c]pyrimidine-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN2C=NC(=CC2=C1)C(=O)O

Technology Process of Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid

There total 2 articles about Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid 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: 98.9%

ethyl pyrrolo[1,2-c]pyrimidine-3-carboxylate (107407-80-7) → pyrrolo[1,2-c]pyrimidine-3-carboxylic acid (251102-27-9)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃;

Reference yield:

2-pyrrole aldehyde (1003-29-8,254729-95-8) → pyrrolo[1,2-c]pyrimidine-3-carboxylic acid (251102-27-9)

Guidance literature:

Multi-step reaction with 2 steps

2: H₂O

With water;

DOI:10.1016/0040-4039(96)00812-X

Reference yield: 62.0%

pyrrolo[1,2-c]pyrimidine-3-carboxylic acid (251102-27-9) → 3-(pyrrolo[1,2-c]pyrimidine)carboxaldehyde (251102-28-0)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1021/jo9907080

upstream raw materials:

ethyl pyrrolo[1,2-c]pyrimidine-3-carboxylate

2-pyrrole aldehyde

Downstream raw materials:

3-(pyrrolo[1,2-c]pyrimidine)carboxaldehyde

pyrrole<1,2-c>pyrimidine