(3-(4-Bromophenyl)isoxazol-5-yl)methanol

Base Information

• Chemical Name: (3-(4-Bromophenyl)isoxazol-5-yl)methanol
• CAS No.: 206055-91-6
• Molecular Formula: C10H8BrNO2
• Molecular Weight: 254.083
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20452688
• Nikkaji Number: J3.358.250A
• Wikidata: Q82273465
• Mol file: 206055-91-6.mol

Synonyms:206055-91-6;(3-(4-Bromophenyl)isoxazol-5-yl)methanol;[3-(4-BROMO-PHENYL)-ISOXAZOL-5-YL]-METHANOL;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methanol;[3-(4-Bromophenyl)isoxazol-5-yl]methanol;5-Isoxazolemethanol, 3-(4-bromophenyl)-;SCHEMBL3233333;DTXSID20452688;CBTFIJPSRUYXHW-UHFFFAOYSA-N;MFCD06656791;AKOS013482593;3-(4-Bromophenyl)isoxazole-5-methanol;AB25559;DS-6412;CS-0157597;A879539;J-013460;(3-(4-Bromophenyl)isoxazol-5-yl)methanol, AldrichCPR

Chemical Property of (3-(4-Bromophenyl)isoxazol-5-yl)methanol

Chemical Property:

• PSA: 46.26000
• LogP: 2.59640
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.97384
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

97% ^*data from raw suppliers

[3-(4-Bromo-phenyl)-isoxazol-5-yl]-methanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NOC(=C2)CO)Br

Technology Process of (3-(4-Bromophenyl)isoxazol-5-yl)methanol

There total 5 articles about (3-(4-Bromophenyl)isoxazol-5-yl)methanol 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: 76.0%

propargyl alcohol (107-19-7) + 4-bromo-N-hydroxybenzenecarboximidoyl chloride (29203-58-5) → [3-(4-bromophenyl)-5-(hydroxymethyl)]isoxazole (206055-91-6)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/jm020248u

Reference yield: 73.0%

C7H7BrClNO + propargyl alcohol (107-19-7) → [3-(4-bromophenyl)-5-(hydroxymethyl)]isoxazole (206055-91-6)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 12h;

Reference yield:

4-bromobenzaldehyde oxime (25062-46-8,40979-16-6,34158-73-1) + propargyl alcohol (107-19-7) → [3-(4-bromophenyl)-5-(hydroxymethyl)]isoxazole (206055-91-6)

Guidance literature:

4-bromobenzaldehyde oxime; With chloroamine-T; In water; tert-butyl alcohol; at 20 ℃;

propargyl alcohol; With copper(ll) sulfate pentahydrate; copper; sodium hydroxide; In water; tert-butyl alcohol; regioselective reaction;

DOI:10.1021/jm1008715

upstream raw materials:

propargyl alcohol

4-bromo-N-hydroxybenzenecarboximidoyl chloride

4-bromobenzaldehyde oxime

4-bromo-benzaldehyde

Downstream raw materials:

N-((3-(4-bromophenyl)isoxazol-5-yl)methyl)propanamide

N-((3-(4-bromophenyl)isoxazol-5-yl)methyl)-2-methylpropanamide

2-bromo-N-((3-(4-bromophenyl)isoxazol-5-yl)methyl)ethanamide

5-(azidomethyl)-3-(4-bromophenyl)isoxazole