5-(Bromomethyl)-3-(2,4-dichlorophenyl)-1,2-oxazole

Base Information

• Chemical Name: 5-(Bromomethyl)-3-(2,4-dichlorophenyl)-1,2-oxazole
• CAS No.: 5301-00-8
• Molecular Formula: C10H6BrCl2NO
• Molecular Weight: 306.97
• European Community (EC) Number: 899-801-3
• DSSTox Substance ID: DTXSID70585374
• Wikidata: Q82477321
• Mol file: 5301-00-8.mol

Synonyms:5301-00-8;5-(bromomethyl)-3-(2,4-dichlorophenyl)isoxazole;5-(bromomethyl)-3-(2,4-dichlorophenyl)-1,2-oxazole;C10H6BrCl2NO;5-bromomethyl-3-(2,4-dichloro-phenyl)-isoxazole;DTXSID70585374;MFCD08444225;AKOS002552795;CS-0241964;EN300-24230;Z169917682

Chemical Property of 5-(Bromomethyl)-3-(2,4-dichlorophenyl)-1,2-oxazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.608
• Boiling Point: 384°Cat760mmHg
• Flash Point: 186°C
• PSA: 26.03000
• Density: 1.667g/cm³
• LogP: 4.54330
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 304.90098
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

98%Min ^*data from raw suppliers

5-(BROMOMETHYL)-3-(2,4-DICHLOROPHENYL)ISOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C2=NOC(=C2)CBr

Technology Process of 5-(Bromomethyl)-3-(2,4-dichlorophenyl)-1,2-oxazole

There total 3 articles about 5-(Bromomethyl)-3-(2,4-dichlorophenyl)-1,2-oxazole 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: 90.1%

2,4-dichlorobenzaldoxime (56843-28-8) + propargyl bromide (106-96-7) → 5-bromomethyl-3-(2,4-dichloro-phenyl)-isoxazole (5301-00-8)

Guidance literature:

With sodium hypochlorite; triethylamine; In dichloromethane; water; at 0 - 20 ℃;

DOI:10.1021/jf902541w

Reference yield:

2,4-dichlorobenzonitrile oxide (37737-65-8) + propargyl bromide (106-96-7) → 5-bromomethyl-3-(2,4-dichloro-phenyl)-isoxazole (5301-00-8)

Guidance literature:

In diethyl ether;

DOI:10.1021/jm00321a048

Reference yield:

2,4-dichlorobenzaldeyhde (874-42-0) → 5-bromomethyl-3-(2,4-dichloro-phenyl)-isoxazole (5301-00-8)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride

2: sodium hypochlorite; triethylamine / dichloromethane; water / 0 - 20 °C

With sodium hypochlorite; hydroxylamine hydrochloride; triethylamine; In dichloromethane; water;

DOI:10.1021/jf902541w

upstream raw materials:

2,4-dichlorobenzonitrile oxide

propargyl bromide

2,4-dichlorobenzaldoxime

2,4-dichlorobenzaldeyhde

Downstream raw materials:

C₁₈H₁₀Cl₂N₂O₃

C₁₉H₁₉Cl₂N₃O₄S

C₂₁H₂₃Cl₂N₃O₄

(3-(2,4-dichlorophenyl)isoxazol-5-yl)methanamine

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