3-Bromo-5-(2-hydroxyethyl)isoxazole

Base Information

• Chemical Name: 3-Bromo-5-(2-hydroxyethyl)isoxazole
• CAS No.: 105175-00-6
• Molecular Formula: C₅H₆BrNO₂
• Molecular Weight: 192.012
• Hs Code.: 2934999090
• European Community (EC) Number: 852-475-6
• DSSTox Substance ID: DTXSID70549890
• Wikidata: Q82429082
• Mol file: 105175-00-6.mol

Synonyms:105175-00-6;3-Bromo-5-(2-hydroxyethyl)isoxazole;2-(3-Bromoisoxazol-5-yl)ethanol;2-(3-bromo-1,2-oxazol-5-yl)ethanol;2-(3-Bromo-isoxazol-5-yl)-ethanol;2-(3-bromoisoxazol-5-yl)ethan-1-ol;C5H6BrNO2;2-(3-Bromo-1,2-oxazol-5-yl)ethan-1-ol;MFCD09025786;3-Bromo-5-hydroxyethylisoxazole;SCHEMBL10341846;DTXSID70549890;2-(3-Bromo-5-isoxazolyl)ethanol;AKOS006344228;AT19717;SB30399;SY198170;CS-0112262;EN300-223735;W-204547

Chemical Property of 3-Bromo-5-(2-hydroxyethyl)isoxazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 308.6±27.0 °C(Predicted)
• PKA: 14.34±0.10(Predicted)
• Density: 1.714±0.06 g/cm3(Predicted)
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.95819
• Heavy Atom Count: 9
• Complexity: 91

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromo-5-isoxazoleethanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(ON=C1Br)CCO
• Uses: 3-Bromo-5-isoxazoleethanol is a useful compound for preparation and optimization of N-(2-Benzoylphenyl)-L-tyrosine analogs as PPARγ agonists.

Technology Process of 3-Bromo-5-(2-hydroxyethyl)isoxazole

There total 4 articles about 3-Bromo-5-(2-hydroxyethyl)isoxazole 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: 97.7%

N-dibromomethylidenehydroxylamine (74213-24-4) + 3-Butyn-1-ol (927-74-2) → 2-(3-bromoisoxazol-5-yl)ethanol (105175-00-6)

Guidance literature:

With potassium hydrogencarbonate; In water; ethyl acetate; at 20 ℃; for 16h;

Reference yield: 88.98%

1-bromo-N-hydroxymethanecarbonimidoyl bromide + 3-Butyn-1-ol (927-74-2) → 2-(3-bromoisoxazol-5-yl)ethanol (105175-00-6)

Guidance literature:

With potassium hydrogencarbonate; In water; ethyl acetate; at 20 ℃;

Reference yield: 85.0%

N-dibromomethylidenehydroxylamine (74213-24-4) + 3-Butyn-1-ol (927-74-2) → 2-(3-Bromo-isoxazol-4-yl)-ethanol (111303-38-9) + 2-(3-bromoisoxazol-5-yl)ethanol (105175-00-6)

Guidance literature:

With potassium hydrogencarbonate; In water; ethyl acetate; for 18h; Yields of byproduct given; Ambient temperature; added dropwise during 6 hours at r.t.;

DOI:10.1002/jhet.5570240109

upstream raw materials:

N-dibromomethylidenehydroxylamine

3-Butyn-1-ol

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