5-Amino-1,3-dimethylpyrazole

Base Information

• Chemical Name: 5-Amino-1,3-dimethylpyrazole
• CAS No.: 3524-32-1
• Molecular Formula: C5H9N3
• Molecular Weight: 111.147
• Hs Code.: 29331990
• DSSTox Substance ID: DTXSID30908181
• Nikkaji Number: J764.552J
• Wikidata: Q82877575
• Mol file: 3524-32-1.mol

Synonyms:5-Amino-1,3-dimethylpyrazole;3524-32-1;1,3-dimethyl-1H-pyrazol-5-amine;2,5-dimethylpyrazol-3-amine;1,3-dimethyl-1h-pyrazole-5yl-amine;3-amino-2,5-dimethyl-2h-pyrazole;2,5-dimethyl-2h-pyrazol-3-ylamine;1H-PYRAZOL-5-AMINE, 1,3-DIMETHYL-;MFCD00051651;5-amino-1,3-dimethyl-1h-pyrazole;86538-53-6;1,3-dimethyl-5-pyrazolamine;1,3-dimethylpyrazol-5-amine;SCHEMBL266468;3-amino-2,5-dimethylpyrazole;5-amino-1,3-dimethyl-pyrazol;F2169-0755;5-amino-1,3-dimethyl pyrazole;1,3-Dimethyl-5-amino pyrazole;DTXSID30908181;HMS3565I19;1,3-dimethyl-1h-pyrazole-5-amine;BCP27524;1,3-Dimethyl-1H-pyrazol-5-ylamine;AM9899;STK346879;1,3-DIMETHYL-5-AMINOPYRAZOLE;5-Amino-1,3-dimethylpyrazole, 97%;AKOS000263992;AB02131;CS-W007940;SB36786;1,3-Dimethyl-1H-pyrazol-5-ylamine #;AC-28105;SY008722;N-(2,5-dimethyl-2H-pyrazol-3-yl)-amine;BB 0258969;FT-0614904;EN300-14984;6H-931;W-202444;Z55423092

Chemical Property of 5-Amino-1,3-dimethylpyrazole

Chemical Property:

• Appearance/Colour: white to light yellow crystal powde
• Vapor Pressure: 0.0521mmHg at 25°C
• Melting Point: 65-69 °C(lit.)
• Boiling Point: 234.7 °C at 760 mmHg
• PKA: 4?+-.0.10(Predicted)
• Flash Point: 95.8 °C
• PSA: 43.84000
• Density: 1.17g/cm³
• LogP: 0.89190
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Hygroscopic
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 111.079647300
• Heavy Atom Count: 8
• Complexity: 83.7

Purity/Quality:

99% ^*data from raw suppliers

5-Amino-1,3-dimethylpyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36-37/39

MSDS Files:

Useful:

• Canonical SMILES: CC1=NN(C(=C1)N)C
• Uses: 5-Amino-1,3-dimethylpyrazole may be used in the preparation of: 5-benzamido-1,3-dimethylpyrazolediethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylene}malonate5-amino-1,3-dimethyl-4-phthalidylpyrazole(E)-N-(3,7-dimethylocta-2,6-dienyl)-1,3-dimethyl-1H-pyrazol-5-amine analog(LQFM002)4-isopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-ol

Technology Process of 5-Amino-1,3-dimethylpyrazole

There total 10 articles about 5-Amino-1,3-dimethylpyrazole 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: 60.4%

3-Aminocrotononitrile (1118-61-2) + methylhydrazine (60-34-4) → 5-Amino-1,3-dimethylpyrazole (3524-32-1)

Guidance literature:

In pentan-1-ol; for 3h; Reflux;

Reference yield: 58.0%

methylhydrazine sulfuric acid (302-15-8) + 3-iminobutyronitrile (1118-60-1) → 5-Amino-1,3-dimethylpyrazole (3524-32-1)

Guidance literature:

methylhydrazine sulfuric acid; 3-iminobutyronitrile; In water; isopropyl alcohol; for 1h; Heating;

With hydrogenchloride; for 6h; Heating;

With ammonium hydroxide;

DOI:10.1007/BF02256864

Reference yield: 58.0%

3-Aminocrotononitrile (1118-61-2) + methylhydrazine sulfate (43213-43-0) → 5-Amino-1,3-dimethylpyrazole (3524-32-1)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol; for 8h; Heating;

DOI:10.1023/A:1026106707180

upstream raw materials:

1,3-dimethyl-5-amino-1H-pyrazole-4-carbonitrile

(5-amino-1-methyl-1H-pyrazol-3-yl)-acetic acid

3-Aminocrotononitrile

methylhydrazine

Downstream raw materials:

2-Ethyl-5-methyl-4-nitro-2H-pyrazole-3-carboxylic acid (2,5-dimethyl-2H-pyrazol-3-yl)-amide

2,4,6-Trichlorophenol

N-benzyl-1,3-dimethyl-1H-pyrazol-5-amine

1,3-dimethyl-6-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-4-one

Refernces

• 1、 -. "SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF". Paragraph 0141. . Retrieved 2015/10/28.
• 2、 -. "PYRAZOLE DERIVATIVES". Paragraph 0253. . Retrieved 2013/06/26.