4-Bromo-1-methyl-1H-pyrazol-3-amine

Base Information

• Chemical Name: 4-Bromo-1-methyl-1H-pyrazol-3-amine
• CAS No.: 146941-72-2
• Molecular Formula: C4H6 Br N3
• Molecular Weight: 176.016
• Hs Code.: 2933199090
• European Community (EC) Number: 681-095-1
• DSSTox Substance ID: DTXSID20370656
• Wikidata: Q82157784
• Mol file: 146941-72-2.mol

Synonyms:146941-72-2;4-Bromo-1-methyl-1H-pyrazol-3-amine;3-Amino-4-bromo-1-methylpyrazole;4-bromo-1-methylpyrazol-3-amine;3-Amino-4-bromo-1-methyl-1H-pyrazole;1H-Pyrazol-3-amine, 4-bromo-1-methyl-;MFCD00663065;SCHEMBL521811;DTXSID20370656;WYPUMGAZSVZUGJ-UHFFFAOYSA-N;BBL040973;STL414483;AKOS000308969;AM81147;CS-W009092;PS-5936;SY056690;FT-0617709;3-amino-4-bromo-1-methylpyrazole, AldrichCPR;EN300-225505;A884476;Z763567892

Chemical Property of 4-Bromo-1-methyl-1H-pyrazol-3-amine

Chemical Property:

• Vapor Pressure: 0.00535mmHg at 25°C
• Melting Point: 90 °C
• Refractive Index: 1.678
• Boiling Point: 274.6°Cat760mmHg
• PKA: 1.98±0.10(Predicted)
• Flash Point: 119.9°C
• PSA: 43.84000
• Density: 1.91g/cm³
• LogP: 1.34600
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 174.97451
• Heavy Atom Count: 8
• Complexity: 87.4

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-43-22
• Safety Statements: 26-37-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C(=N1)N)Br

Technology Process of 4-Bromo-1-methyl-1H-pyrazol-3-amine

There total 4 articles about 4-Bromo-1-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: 89.4%

methyl-1 amino-3 pyrazole (1904-31-0) → 4-bromo-1-methyl-1H-pyrazol-3-ylamine (146941-72-2)

Guidance literature:

With bromine; In ethanol; at 0 - 15 ℃; for 1h;

Reference yield: 72.0%

methyl-1 amino-3 pyrazole (1904-31-0) → 4-bromo-1-methyl-1H-pyrazol-3-ylamine (146941-72-2) + 1,2-bis(1-methyl-1H-pyrazol-3-yl)diazene

Guidance literature:

With sodium hypobromide; sodium hydroxide; In water; at 25 ℃; for 5h;

DOI:10.1007/s11172-021-3072-z

Reference yield: 59.0%

methyl-1 amino-3 pyrazole (1904-31-0) → 4-bromo-1-methyl-1H-pyrazol-3-ylamine (146941-72-2) + 1,2-bis(4-bromo-1-methyl-1H-pyrazol-3-yl)diazene

Guidance literature:

With hydrogen bromide; sodium hydrogencarbonate; sodium bromide; In water; at 25 ℃; Electrochemical reaction;

DOI:10.1007/s11172-018-2102-y

upstream raw materials:

methyl-1 amino-3 pyrazole

Downstream raw materials:

4-bromo-3-(difluoromethyl)-1-methyl-1H-pyrazole

N-{[2,4-bis(methyloxy)phenyl]methyl}-4-bromo-1-methyl-1H-pyrazol-3-amine

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