4-bromo-1,5-dimethyl-1H-pyrazole

Base Information

• Chemical Name: 4-bromo-1,5-dimethyl-1H-pyrazole
• CAS No.: 5775-86-0
• Molecular Formula: C5H7BrN2
• Molecular Weight: 175.028
• Hs Code.: 2933199090
• European Community (EC) Number: 800-601-5
• DSSTox Substance ID: DTXSID90504421
• Nikkaji Number: J1.645.595D
• Wikidata: Q82358909
• Mol file: 5775-86-0.mol

Synonyms:4-bromo-1,5-dimethyl-1H-pyrazole;5775-86-0;4-bromo-1,5-dimethylpyrazole;MFCD09759006;1H-Pyrazole, 4-bromo-1,5-dimethyl-;SCHEMBL12926046;DTXSID90504421;YWTIJBYUQXQACR-UHFFFAOYSA-N;AKOS000302003;AB51571;AM804078;AS-18017;SY032821;BB 0254460;CS-0038657;FT-0678812;4-Bromo-1,5-dimethyl-1H-pyrazole, AldrichCPR;EN300-188554;A869595;J-514535;Z1198224382

Chemical Property of 4-bromo-1,5-dimethyl-1H-pyrazole

Chemical Property:

• Vapor Pressure: 0.281mmHg at 25°C
• Melting Point: 38.5-39.5 °C
• Boiling Point: 210.265°C at 760 mmHg
• PKA: 0.78±0.10(Predicted)
• Flash Point: 80.966°C
• PSA: 17.82000
• Density: 1.584g/cm³
• LogP: 1.49100
• Storage Temp.: Room temperature.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 173.97926
• Heavy Atom Count: 8
• Complexity: 86.5

Purity/Quality:

98%min ^*data from raw suppliers

4-Bromo-1,5-dimethyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=NN1C)Br

Technology Process of 4-bromo-1,5-dimethyl-1H-pyrazole

There total 9 articles about 4-bromo-1,5-dimethyl-1H-pyrazole 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: 85.0%

1,5-dimethyl-1H-pyrazole-4-carbaldehyde (25711-30-2) → 4-bromo-1,5-dimethyl-1H-pyrazole (5775-86-0)

Guidance literature:

With bromine; In acetic acid; at 20 - 100 ℃;

DOI:10.1134/S1070428007110292

Reference yield: 70.0%

1,5-dimethylpyrazole-4-carboxylic acid (31728-75-3) → 4-bromo-1,5-dimethyl-1H-pyrazole (5775-86-0)

Guidance literature:

With sodium hydroxide; bromine; In water; at 20 ℃; for 1h;

DOI:10.1134/S1070363207020193

Reference yield: 65.0%

1,5-dimethyl-4-hydroxymethylpyrazole (103946-58-3) → 4-bromo-1,5-dimethyl-1H-pyrazole (5775-86-0)

Guidance literature:

With bromine; sodium hydroxide; In water; at 20 ℃;

DOI:10.1134/S1070363209040367

upstream raw materials:

1,5-dimethyl-1H-pyrazole

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

sodium methylate

methyl iodide

Downstream raw materials:

1-Methyl-4,5-pyrazol-dicarbonsaeure

4-bromo-2-methyl-2H-pyrazole-3-carboxylic acid

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

1,5-dimethylpyrazole-4-carboxylic acid

Refernces

• 1、 Baltayan,Rstakyan,Antanosyan,Akopyan,Attaryan,Asratyan. "Bromination of 1,3-dimethyl- and 1,5-dimethyl-4-hydroxymethylpyrazoles". experimental part. p. 874 - 875. Retrieved 2009/09/26.
• 2、 Attaryan,Akopyan,Badalyan,Minasyan,Asratyan. "Bromination of 1,3- and 1,5-dimethyl-1H-pyrazole-4-carbaldehydes". . p. 1740 - 1741. Retrieved 2008/09/18.