1-(2-bromoethyl)-3,5-dimethyl-1H-pyrazole

Base Information

• Chemical Name: 1-(2-bromoethyl)-3,5-dimethyl-1H-pyrazole
• CAS No.: 67000-35-5
• Molecular Formula: C7H11BrN2
• Molecular Weight: 203.082
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID60444704
• Nikkaji Number: J1.990.791K
• Wikidata: Q82262939
• Mol file: 67000-35-5.mol

Synonyms:1-(2-bromoethyl)-3,5-dimethyl-1H-pyrazole;67000-35-5;1-(2-BROMOETHYL)-3,5-DIMETHYLPYRAZOLE;SCHEMBL8767403;DTXSID60444704;MFCD09806822;AKOS000163773;AM806001;AS-65117;CS-0039089;EN300-43394;F8889-8219

Chemical Property of 1-(2-bromoethyl)-3,5-dimethyl-1H-pyrazole

Chemical Property:

• PSA: 17.82000
• LogP: 1.89480
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 202.01056
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

1-(2-bromoethyl)-3,5-dimethyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1CCBr)C

Technology Process of 1-(2-bromoethyl)-3,5-dimethyl-1H-pyrazole

There total 3 articles about 1-(2-bromoethyl)-3,5-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: 66.0%

3,5-dimethyl-1H-pyrazole (67-51-6) + ethylene dibromide (106-93-4) → 1-(2-bromoethyl)-3,5-dimethyl-1H-pyrazole (67000-35-5)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In dichloromethane; at 20 ℃; for 30h; Inert atmosphere;

DOI:10.1039/c0ob00807a

Reference yield: 42.0%

3,5-dimethyl-1H-pyrazole (67-51-6) + ethylene dibromide (106-93-4) → 3,5-Dimethyl-1-vinyl-1H-pyrazole (15967-75-6) + 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethane (24559-01-1) + 1-(2-bromoethyl)-3,5-dimethyl-1H-pyrazole (67000-35-5)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; for 1h; Yields of byproduct given; Heating;

DOI:10.1016/S0968-0896(98)00273-9

Reference yield:

→ 1-(2-bromoethyl)-3,5-dimethyl-1H-pyrazole (67000-35-5)

Guidance literature:

/BRN= 509062/, wss. HBr, Δ;

upstream raw materials:

3,5-dimethyl-1H-pyrazole

ethylene dibromide

Downstream raw materials:

methyl N-2-(3,5-dimethylpyrazol-1-yl)ethyliminodiacetate

2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine

(4-EtO₂CCH₂-3,5-Me₂pyrazolyl)(CH₂)2NH-Gly-CH₂S(trityl)

N-{1-[2-(3,5-Dimethyl-pyrazol-1-yl)-ethyl]-4-phenyl-piperidin-4-yl}-N-(2-fluoro-phenyl)-propionamide