CID 2819058

Base Information

• Chemical Name: CID 2819058
• CAS No.: 61552-51-0
• Molecular Formula: C₉H₁₁N₅O
• Molecular Weight: 205.219
• DSSTox Substance ID: DTXSID90384801
• Mol file: 61552-51-0.mol

Synonyms:61552-51-0;N'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide;N-hydroxy-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamidine;Maybridge3_003333;DTXSID90384801;SXKLPVNUIXJJLW-UHFFFAOYSA-N;AKOS030752058;SB74921

Chemical Property of CID 2819058

Chemical Property:

• PSA: 86.30000
• Density: 1.49±0.1 g/cm3(Predicted)
• LogP: 1.14090
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 205.09635999
• Heavy Atom Count: 15
• Complexity: 269

Purity/Quality:

N''-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC2=C(C=NN12)C(=NO)N)C

Technology Process of CID 2819058

There total 4 articles about CID 2819058 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: 60.0%

5,7-dimethylpyrazolo<1,5-a>pyrimidine-3-carbonitrile (43024-16-4) → N-hydroxy-5,6-dimethylpyrazolo<1,5-a>pyrimidine-3-carboximidamide (61552-51-0)

Guidance literature:

With hydroxylamine hydrochloride; sodium methylate; In methanol; for 18h; Heating;

Reference yield:

acetylacetone (123-54-6,81235-32-7) → N-hydroxy-5,6-dimethylpyrazolo<1,5-a>pyrimidine-3-carboximidamide (61552-51-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / methanol / 5 h / Heating

2: 60 percent / hydroxylamine hydrochloride, MeONa / methanol / 18 h / Heating

With hydroxylamine hydrochloride; sodium methylate; In methanol;

Reference yield:

acetylacetone (123-54-6,81235-32-7) → N-hydroxy-5,6-dimethylpyrazolo<1,5-a>pyrimidine-3-carboximidamide (61552-51-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / methanol / 5 h / Heating

2: 60 percent / NH₂OH / 18 h / Heating

With hydroxylamine; In methanol;

upstream raw materials:

5,7-dimethylpyrazolo<1,5-a>pyrimidine-3-carbonitrile

acetylacetone

Refernces

• 1、 -. "HETEROCYCLIC COMPOUND". Page/Page column 92. . Retrieved 2011/01/12.
• 2、 Deeb, A.,El-Mobayed, M.,Hamid, A. Abdel,Hamid, A. Abdel. "SYNTHESIS OF SUBSTITUTED PYRAZOLOPYRIMIDINES". . p. 449 - 455. Retrieved 2007/10/02.