(5-(tert-Butyl)isoxazol-3-yl)methanol

Base Information

• Chemical Name: (5-(tert-Butyl)isoxazol-3-yl)methanol
• CAS No.: 202817-06-9
• Molecular Formula: C8H13NO2
• Molecular Weight: 155.19
• European Community (EC) Number: 970-022-1
• ChEMBL ID: CHEMBL4540032
• Mol file: 202817-06-9.mol

Synonyms:202817-06-9;(5-(tert-Butyl)isoxazol-3-yl)methanol;(5-tert-butyl-1,2-oxazol-3-yl)methanol;SCHEMBL2733286;CHEMBL4540032;ZEWDREDIDBZTAP-UHFFFAOYSA-N;(5-t-butyl-isoxazol-3-yl)methanol;CIA81706;AKOS005351165;CS-0378928;EN300-182225

Chemical Property of (5-(tert-Butyl)isoxazol-3-yl)methanol

Chemical Property:

• PSA: 46.26000
• LogP: 1.46440
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 155.094628657
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

(5-tert-butyl-1,2-oxazol-3-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=NO1)CO

Technology Process of (5-(tert-Butyl)isoxazol-3-yl)methanol

There total 1 articles about (5-(tert-Butyl)isoxazol-3-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: 93.0%

5-tert-butylisoxazole-3-carboxylic acid ethyl ester (91252-54-9) → 5-tert-butyl-3-(hydroxymethyl)isoxazole (202817-06-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -30 ℃; for 0.5h;

DOI:10.1021/jm970636+

Reference yield:

5-tert-butyl-3-(hydroxymethyl)isoxazole (202817-06-9) → N-methyl-N-<(5-tert-butyl-3-isoxazolyl)methyl>amine

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / Et₃N / CH₂Cl₂ / 0.17 h / 0 °C

2: 90 percent / 108 h / Ambient temperature

With triethylamine; In dichloromethane;

DOI:10.1021/jm970636+

Reference yield:

5-tert-butyl-3-(hydroxymethyl)isoxazole (202817-06-9) → 5-t-butyl-isoxazole-3-carbaldehyde (88721-64-6)

Guidance literature:

With manganese(IV) oxide; In 1,4-dioxane; for 10h; Heating / reflux;

upstream raw materials:

5-tert-butylisoxazole-3-carboxylic acid ethyl ester

Downstream raw materials:

5-t-butyl-isoxazole-3-carbaldehyde