4-[2-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1-methylpiperidin-4-ol

Base Information

• Chemical Name: 4-[2-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1-methylpiperidin-4-ol
• CAS No.: 54595-98-1
• Molecular Formula: C₁₇H₂₄N₂O₂
• Molecular Weight: 288.39
• NSC Number: 160557
• DSSTox Substance ID: DTXSID80303723
• Wikidata: Q82049168
• Mol file: 54595-98-1.mol

Synonyms:54595-98-1;4-[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1-methylpiperidin-4-ol;NSC160557;SCHEMBL11827947;DTXSID80303723;NSC-160557

Chemical Property of 4-[2-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1-methylpiperidin-4-ol

Chemical Property:

• Vapor Pressure: 1.07E-08mmHg at 25°C
• Boiling Point: 444.9°Cat760mmHg
• Flash Point: 222.9°C
• Density: 1.16g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 288.183778013
• Heavy Atom Count: 21
• Complexity: 411

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(COC(=N1)C2=CC=CC=C2C3(CCN(CC3)C)O)C

Technology Process of 4-[2-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1-methylpiperidin-4-ol

There total 3 articles about 4-[2-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1-methylpiperidin-4-ol 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:

2-bromo-N-(2-hydroxy-1,1-dimethylethyl)benzamide (54596-21-3) → 4-[2-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-1-methyl-piperidin-4-ol (54595-98-1)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / Ambient temperature

2: (i) Mg, J₂, THF, (ii) /BRN= 106924/

With thionyl chloride;

DOI:10.1021/jo00898a010

Reference yield:

1-Methyl-4-piperidone (1445-73-4) + 2-(2-bromo-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole (32664-13-4) → 4-[2-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-1-methyl-piperidin-4-ol (54595-98-1)

Guidance literature:

Multistep reaction; (i) Mg, THF, (ii) /BRN= 106924/;

DOI:10.1021/jm00233a012

Reference yield:

→ 4-[2-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-1-methyl-piperidin-4-ol (54595-98-1)

Guidance literature:

2-(2-Bromphenyl)-4,4-dimethyl-2-oxazolin 1. Mg 2. 1-Methyl-4-piperidon;

upstream raw materials:

1-Methyl-4-piperidone

2-(2-bromo-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole

2-bromo-N-(2-hydroxy-1,1-dimethylethyl)benzamide