Pyrazole-1-carboxamidine,5-dimethyl-N-nitro-

Base Information

• Chemical Name: Pyrazole-1-carboxamidine,5-dimethyl-N-nitro-
• CAS No.: 2946-89-6
• Molecular Formula: C6H9 N5 O2
• Molecular Weight: 183.17
• Hs Code.: 2933199090
• NSC Number: 270087
• Mol file: 2946-89-6.mol

Synonyms:C6H9N5O2;C6-H9-N5-O2;NSC270087;Pyrazole-1-carboxamidine,5-dimethyl-N-nitro-;1H-Pyrazole-1-carboximidamide,5-dimethyl-N-nitro-

Chemical Property of Pyrazole-1-carboxamidine,5-dimethyl-N-nitro-

Chemical Property:

• Boiling Point: 389oC at 760 mmHg
• Flash Point: 189.1oC
• PSA: 102.02000
• Density: 1.51g/cm3
• LogP: 1.07790
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 183.07562455
• Heavy Atom Count: 13
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

1-NITROGUANYL-3,5-DIMETHYL-PYRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1C(=N[N+](=O)[O-])N)C
• Isomeric SMILES: CC1=CC(=NN1/C(=N/[N+](=O)[O-])/N)C

Technology Process of Pyrazole-1-carboxamidine,5-dimethyl-N-nitro-

There total 3 articles about Pyrazole-1-carboxamidine,5-dimethyl-N-nitro- 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: 89.0%

1-amino-2-nitroguanidine (18264-75-0) + acetylacetone (123-54-6,81235-32-7) → 3,5-dimethyl-N-nitro-1H-pyrazole-1-carboxamidine (2946-89-6)

Guidance literature:

With acetic acid; In water; Heating / reflux;

Reference yield: 64.0%

→ 3,5-dimethyl-N-nitro-1H-pyrazole-1-carboximidamide (2946-89-6)

Guidance literature:

Reference yield:

acetylacetone (123-54-6,81235-32-7) + 3-amino-1-nitroguanidine (18264-75-0) → 3,5-dimethyl-pyrazole-1-carbonimidic acid nitroamide (2946-89-6)

Guidance literature:

With acetic acid;

DOI:10.1021/ja01102a009

upstream raw materials:

acetylacetone

3-amino-1-nitroguanidine

1-amino-2-nitroguanidine

Downstream raw materials:

N-nitro-N'-phenyl-guanidine

N-anilino-N'-nitro-guanidine

3,5-dimethyl-4-nitro-1H-pyrazole

N-Benzyloxycarbonyl-N^G-nitroagmatin