[3-(4-Methoxyphenyl)isoxazol-5-yl]methanol

Base Information

• Chemical Name: [3-(4-Methoxyphenyl)isoxazol-5-yl]methanol
• CAS No.: 206055-86-9
• Molecular Formula: C11H11 N O3
• Molecular Weight: 205.213
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60362999
• Nikkaji Number: J1.636.767B
• Wikidata: Q72517702
• ChEMBL ID: CHEMBL4103802
• Mol file: 206055-86-9.mol

Synonyms:206055-86-9;[3-(4-methoxyphenyl)isoxazol-5-yl]methanol;[3-(4-Methoxyphenyl)-5-isoxazolyl]methanol;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanol;[3-(4-METHOXY-PHENYL)-ISOXAZOL-5-YL]-METHANOL;(3-(4-METHOXYPHENYL)ISOXAZOL-5-YL)METHANOL;MFCD04124287;[3-(4-Methoxyphenyl)isoxazol-5yl]methanol;[3-(4-methoxy-phenyl)-isoxazol-5-yl]-methanol, AldrichCPR;SCHEMBL1566577;CHEMBL4103802;DTXSID60362999;STK510270;AKOS005069495;AB20793;3-(4-Methoxyphenyl)isoxazole-5-methanol;11L-326S;AM20060983;CS-0085255;FT-0652130;[3-(4-methoxyphenyl)isoxazole-5-yl]-methanol;EN300-232149;A814736;SR-01000307897;J-501076;SR-01000307897-1

Chemical Property of [3-(4-Methoxyphenyl)isoxazol-5-yl]methanol

Chemical Property:

• Melting Point: 97-98oC
• Boiling Point: 396.1±37.0 °C(Predicted)
• PKA: 13.32±0.10(Predicted)
• PSA: 55.49000
• Density: 1.217±0.06 g/cm3(Predicted)
• LogP: 1.84250
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 205.07389321
• Heavy Atom Count: 15
• Complexity: 192

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NOC(=C2)CO

Technology Process of [3-(4-Methoxyphenyl)isoxazol-5-yl]methanol

There total 13 articles about [3-(4-Methoxyphenyl)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: 87.0%

3-(4-methoxyphenyl)isoxazole-5-carboxylic acid ethyl ester → 3-(4-methoxyphenyl)-5-(hydroxymethyl)isoxazole (206055-86-9)

Guidance literature:

3-(4-methoxyphenyl)isoxazole-5-carboxylic acid ethyl ester; With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 2h;

With water; sodium hydroxide; In tetrahydrofuran;

Reference yield: 85.0%

propargyl alcohol (107-19-7) + N-hydroxy-4-methoxy-benzenecarboximidoyl chloride (38435-51-7) → 3-(4-methoxyphenyl)-5-(hydroxymethyl)isoxazole (206055-86-9)

Guidance literature:

With sodium hydrogencarbonate; In water; isopropyl alcohol; at 20 ℃; for 4h; regioselective reaction;

DOI:10.1007/s13738-013-0307-4

Reference yield: 72.0%

p-methoxyl benzaldoxime (3717-21-3,3717-22-4,140461-28-5,140461-29-6,3235-04-9) + propargyl alcohol (107-19-7) → 3-(4-methoxyphenyl)-5-(hydroxymethyl)isoxazole (206055-86-9)

Guidance literature:

p-methoxyl benzaldoxime; With N-chloro-succinimide; In N,N-dimethyl-formamide; for 3h;

propargyl alcohol; With copper(ll) sulfate pentahydrate; potassium carbonate; ascorbic acid; In N,N-dimethyl-formamide; for 1h;

upstream raw materials:

(E)-4-methoxybenzaldoxime

propargyl alcohol

N-hydroxy-4-methoxy-benzenecarboximidoyl chloride

4-methoxybenzonitrile oxide

Downstream raw materials:

3-(4-methoxyphenyl)-5-isoxazolylcarboxylic acid

(3-(4-methoxyphenyl)isoxazol-5-yl)methyl 4-methylbenzenesulfonate

3-(4-methoxy-phenyl)-5-methylisoxazole

tert-butyl (S)-1-((3-(4-methoxyphenyl)isoxazol-5-yl)methylcarbamoyl)-2-phenylethylcarbamate