[3-(4-Methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

Base Information

• Chemical Name: [3-(4-Methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
• CAS No.: 206055-84-7
• Molecular Formula: C11H13NO3
• Molecular Weight: 207.229
• ChEMBL ID: CHEMBL3446102
• DSSTox Substance ID: DTXSID00461935
• Nikkaji Number: J1.635.770G
• Mol file: 206055-84-7.mol

Synonyms:206055-84-7;[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol;5-Isoxazolemethanol, 4,5-dihydro-3-(4-methoxyphenyl)-;(3-(4-Methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methanol;SBB027177;CHEMBL3446102;DTXSID00461935;VLLYRDLFJWFLGB-UHFFFAOYSA-N;AKOS005607006;CS-0357174

Chemical Property of [3-(4-Methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

Chemical Property:

• PSA: 51.05000
• LogP: 0.61610
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 207.08954328
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of [3-(4-Methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

There total 11 articles about [3-(4-Methoxyphenyl)-4,5-dihydro-1,2-oxazol-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: 90.0%

allyl alcohol (107-18-6) + N-hydroxy-4-methoxy-benzenecarboximidoyl chloride (38435-51-7) → [(5RS)-3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]methanol (206055-84-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 5 ℃; for 8h;

DOI:10.1016/j.ejmech.2016.07.026

Reference yield: 82.0%

1-(4-methoxyphenyl)but-3-en-1-one oxime (904672-46-4) → [(5RS)-3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]methanol (206055-84-7)

Guidance literature:

With oxygen; manganese(III) acetylacetonate; In methanol; at 20 ℃; for 5h; Green chemistry;

DOI:10.1002/ejoc.201600998

Reference yield: 82.0%

→ [(5RS)-3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]methanol (206055-84-7)

Guidance literature:

With manganese(III) acetylacetonate; In methanol; at 20 ℃; for 4h; under 159.611 Torr;

With sodium thiosulfate; In water; at 20 ℃; for 0.5h; Reagent/catalyst; Solvent;

upstream raw materials:

allyl alcohol

N-hydroxy-4-methoxy-benzenecarboximidoyl chloride

(E)-4-methoxybenzaldoxime

p-methoxyl benzaldoxime

Downstream raw materials:

C₁₅H₁₉NO₅

5-(N,N-dimethylaminomethyl)-3-(4-methoxyphenyl)-4,5-dihydroisoxazole

2-(4-methoxyphenyl)furan

(1S,5S)-4-(4-methoxyphenyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene