4-bromo-5-methyl-1H-pyrazol-3-amine

Base Information

• Chemical Name: 4-bromo-5-methyl-1H-pyrazol-3-amine
• CAS No.: 1780-72-9
• Molecular Formula: C4H6BrN3
• Molecular Weight: 176.016
• Hs Code.: 2933199090
• European Community (EC) Number: 687-039-2
• DSSTox Substance ID: DTXSID00361300
• Nikkaji Number: J1.908.002A
• Wikidata: Q82143577
• Mol file: 1780-72-9.mol

Synonyms:4-bromo-5-methyl-1H-pyrazol-3-amine;1780-72-9;4-bromo-3-methyl-1H-pyrazol-5-amine;4-Bromo-5-methyl-1H-pyrazol-3-ylamine;1H-Pyrazol-3-amine, 4-bromo-5-methyl-;3-Amino-4-bromo-5-methylpyrazole;MFCD03412169;4-Bromo-5-methyl-2H-pyrazol-3-yl-amine;5-Amino-4-bromo-3-methyl-1H-pyrazole;Maybridge1_004507;SCHEMBL2876493;SCHEMBL8317203;DTXSID00361300;5-amino-4-bromo-3-methylpyrazole;STK312969;AKOS000308190;AKOS001014318;AB12664;BS-3954;4-Bromo-5-methyl-2H-pyrazole-3-amine;4-Bromo-5-methyl-2H-pyrazol-3-ylamine;AM803373;SY050685;1H-Pyrazole, 3-amino-4-bromo-5-methyl-;CS-0035978;5-Amino-4-bromo-3-methyl-1H-pyrazole, 97%;EN300-248456;Z56769169

Chemical Property of 4-bromo-5-methyl-1H-pyrazol-3-amine

Chemical Property:

• Melting Point: 118.0 to 122.0 °C
• Boiling Point: 337.9±37.0 °C(Predicted)
• PKA: 14.55±0.50(Predicted)
• PSA: 55.43000
• Density: 1.838±0.06 g/cm3(Predicted)
• LogP: 0.99290
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 174.97451
• Heavy Atom Count: 8
• Complexity: 87.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-bromo-5-methyl-1H-pyrazol-3-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=NN1)N)Br

Technology Process of 4-bromo-5-methyl-1H-pyrazol-3-amine

There total 5 articles about 4-bromo-5-methyl-1H-pyrazol-3-amine 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: 77.25%

3-amino-5-methylpyrazole (31230-17-8) → 4-bromo-5-methyl-2H-pyrazol-3-ylamine (1780-72-9)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In acetonitrile; at 0 - 20 ℃;

Reference yield:

3-amino-5-methylpyrazole (31230-17-8) → 4-bromo-5-methyl-2H-pyrazol-3-ylamine (1780-72-9)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 0 - 20 ℃;

DOI:10.1021/acsmedchemlett.7b00317

Reference yield:

5-methyl-1H-pyrazole-3-carboxylic acid amide (4027-56-9) → 4-bromo-5-methyl-1H-pyrazol-3-amine (1780-72-9)

Guidance literature:

With potassium hydroxide; bromine;

upstream raw materials:

5-methyl-1H-pyrazole-3-carboxylic acid amide

4-bromo-5-methyl-1H-pyrazole-3-carboxamide

3-amino-5-methylpyrazole

Downstream raw materials:

3-methyl-4-(4-(trifluoromethyl)phenyl)-1H-pyrazol-5-amine

5-amino-3-methyl-4-(2-methoxyphenyl)-1Н-pyrazole

5-amino-3-methyl-4-(4-methoxyphenyl)-1Н-pyrazole

3-methyl-5-aminopyrazole

Refernces

• 1、 -. "Application of 5-aminopyrazole compounds to plant growth regulation aspect". Paragraph 0014; 0018; 0021-0022. . Retrieved 2018/05/16.
• 2、 -. "PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL COMPOUNDS". Paragraph 0323; 0324. . Retrieved 2016/11/17.