5-(Hydroxymethyl)-3-[4-(propan-2-yl)phenyl]-1,3-oxazolidin-2-one

Base Information

• Chemical Name: 5-(Hydroxymethyl)-3-[4-(propan-2-yl)phenyl]-1,3-oxazolidin-2-one
• CAS No.: 92613-35-9
• Molecular Formula: C13H17NO3
• Molecular Weight: 235.283
• ChEMBL ID: CHEMBL295800
• DSSTox Substance ID: DTXSID90575313
• Mol file: 92613-35-9.mol

Synonyms:92613-35-9;CHEMBL295800;SCHEMBL12665371;DTXSID90575313;5-(Hydroxymethyl)-3-[4-(propan-2-yl)phenyl]-1,3-oxazolidin-2-one

Chemical Property of 5-(Hydroxymethyl)-3-[4-(propan-2-yl)phenyl]-1,3-oxazolidin-2-one

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 235.12084340
• Heavy Atom Count: 17
• Complexity: 272

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)N2CC(OC2=O)CO

Technology Process of 5-(Hydroxymethyl)-3-[4-(propan-2-yl)phenyl]-1,3-oxazolidin-2-one

There total 2 articles about 5-(Hydroxymethyl)-3-[4-(propan-2-yl)phenyl]-1,3-oxazolidin-2-one 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: 82.0%

<3-(4-isopropylphenyl)-2-oxo-5-oxazolidinyl>methyl butyrate (121373-21-5) → 3-(4-isopropylphenyl)-2-oxo-5-(hydroxymethyl)oxazolidine (92613-35-9)

Guidance literature:

With sodium methylate; In methanol; for 2h; Ambient temperature;

DOI:10.1021/jm00128a003

Reference yield:

4-isopropylphenylisocyanate (31027-31-3) → 3-(4-isopropylphenyl)-2-oxo-5-(hydroxymethyl)oxazolidine (92613-35-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / LiBr, n-Bu₃PO / xylene / 2 h / Heating

2: 82 percent / sodium methoxide / methanol / 2 h / Ambient temperature

With Tributylphosphine oxide; sodium methylate; lithium bromide; In methanol; xylene;

DOI:10.1021/jm00128a003

Reference yield: 79.0%

acetyl chloride (75-36-5) + 3-(4-isopropylphenyl)-2-oxo-5-(hydroxymethyl)oxazolidine (92613-35-9) → [3-(4-isopropylphenyl)-2-oxo-5-oxazolidinyl]methyl acetate

Guidance literature:

With pyridine; acetic anhydride; for 1h; Heating;

DOI:10.1021/jm00128a003

upstream raw materials:

<3-(4-isopropylphenyl)-2-oxo-5-oxazolidinyl>methyl butyrate

4-isopropylphenylisocyanate