Pyrrolo[1,2-c]pyrimidine-7-carboxaldehyde

Base Information

• Chemical Name: Pyrrolo[1,2-c]pyrimidine-7-carboxaldehyde
• CAS No.: 251102-31-5
• Molecular Formula: C₈H₆N₂O
• Molecular Weight: 146.148
• DSSTox Substance ID: DTXSID80441972
• Wikidata: Q72505555
• Mol file: 251102-31-5.mol

Synonyms:Pyrrolo[1,2-c]pyrimidine-7-carboxaldehyde;251102-31-5;pyrrolo[1,2-c]pyrimidine-7-carbaldehyde;DTXSID80441972;7-formylpyrrolo[1,2-c]pyrimidine;EN300-4269374;Pyrrolo[1,2-c]pyrimidine-7-carboxaldehyde(9ci);Z1255493973

Chemical Property of Pyrrolo[1,2-c]pyrimidine-7-carboxaldehyde

Chemical Property:

• Melting Point: 114-115℃
• PKA: 0.81±0.30(Predicted)
• PSA: 34.37000
• Density: 1.24
• LogP: 1.14680
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.048012819
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

Pyrrolo[1,2-c]pyrimidine-7-carboxaldehyde 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CN2C1=CC=C2C=O

Technology Process of Pyrrolo[1,2-c]pyrimidine-7-carboxaldehyde

There total 2 articles about Pyrrolo[1,2-c]pyrimidine-7-carboxaldehyde 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: 63.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + pyrrole<1,2-c>pyrimidine (274-43-1) → 7-pyrrolo[1,2-c]pyrimidinecarboxaldehyde (251102-31-5)

Guidance literature:

With trichlorophosphate; In diethyl ether; dichloromethane; at 20 ℃; for 5h;

DOI:10.1021/jo9907080

Reference yield:

3-[(4-methylphenyl)sulfonyl]pyrrolo[1,2-c]pyrimidine (70380-76-6) → 7-pyrrolo[1,2-c]pyrimidinecarboxaldehyde (251102-31-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 51 percent / Na₂HPO₄; sodium amalgam / methanol / 3 h / 20 °C

2: 63 percent / POCl₃ / diethyl ether; CH₂Cl₂ / 5 h / 20 °C

With disodium hydrogenphosphate; sodium amalgam; trichlorophosphate; In methanol; diethyl ether; dichloromethane; 1: desulfonylation / 2: Formylation;

DOI:10.1021/jo9907080

upstream raw materials:

N,N-dimethyl-formamide

pyrrole<1,2-c>pyrimidine

3-[(4-methylphenyl)sulfonyl]pyrrolo[1,2-c]pyrimidine