1-Methyl-1H-pyrazole-4,5-diamine

Base Information

• Chemical Name: 1-Methyl-1H-pyrazole-4,5-diamine
• CAS No.: 45514-38-3
• Molecular Formula: C4H8N4
• Molecular Weight: 112.13300
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID30437805
• Nikkaji Number: J1.518.210E
• Wikidata: Q82253371
• Mol file: 45514-38-3.mol

Synonyms:1-Methyl-1H-pyrazole-4,5-diamine;45514-38-3;2-methylpyrazole-3,4-diamine;1-methyl-5-amino-4-aminopyrazole;SCHEMBL33843;4,5-diamino-1-methylpyrazole;DTXSID30437805;AKOS006337794;CS-0036158;EN300-151828;A872372

Chemical Property of 1-Methyl-1H-pyrazole-4,5-diamine

Chemical Property:

• PSA: 69.86000
• LogP: 0.74690
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 112.074896272
• Heavy Atom Count: 8
• Complexity: 84.1

Purity/Quality:

98% ^*data from raw suppliers

1-Methyl-1H-pyrazole-4,5-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C=N1)N)N

Technology Process of 1-Methyl-1H-pyrazole-4,5-diamine

There total 3 articles about 1-Methyl-1H-pyrazole-4,5-diamine 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:

5-Amino-1-methylpyrazole (1192-21-8) → 1-methyl-1H-pyrazole-4,5-diamine (45514-38-3)

Guidance literature:

5-Amino-1-methylpyrazole; With hydrogenchloride; sodium nitrite; In water;

With sulfuric acid; palladium 10% on activated carbon; hydrogen;

Reference yield:

1-methyl-4-nitro-1H-pyrazol-5-amine (19868-85-0) → 1-methyl-1H-pyrazole-4,5-diamine (45514-38-3)

Guidance literature:

With 10% Pd on charcoal; sulfuric acid; hydrogen;

DOI:10.1016/j.bmcl.2008.07.085

Reference yield:

→ 1-methyl-1H-pyrazole-4,5-diamine (45514-38-3)

Guidance literature:

4-Nitro-5-amino-1-methyl-pyrazol, H2, Raney-Ni;

upstream raw materials:

1-methyl-4-nitro-1H-pyrazol-5-amine

5-Amino-1-methylpyrazole

Downstream raw materials:

5-amino-1-methyl-4-phenoxycarbonylaminopyrazole

Refernces

• 1、 -. "INTERMEDIATES IN THE SYNTHESIS OF CEPHALOSPORIN COMPOUNDS". Sheet 3. . Retrieved 2016/02/29.
• 2、 -. "1,3-Dihydroxybenzene derivatives and colorants containing said compounds". . . Retrieved 2008/06/13.