3-(2-oxo-1,3-oxazolidin-3-yl)propyl Acetate

Base Information

• Chemical Name: 3-(2-oxo-1,3-oxazolidin-3-yl)propyl Acetate
• CAS No.: 87010-30-8
• Molecular Formula: C₈H₁₃NO₄
• Molecular Weight: 187.196
• DSSTox Substance ID: DTXSID90455767
• Wikidata: Q82277897
• Mol file: 87010-30-8.mol

Synonyms:87010-30-8;3-(3-Hydroxypropyl)-2-oxazolidinone Acetate;3-(2-oxo-1,3-oxazolidin-3-yl)propyl Acetate;3-(2-oxooxazolidin-3-yl)propyl acetate;3-[3-(Acetyloxy)propyl]-2-oxazolidinone;DTXSID90455767;FT-0670069

Chemical Property of 3-(2-oxo-1,3-oxazolidin-3-yl)propyl Acetate

Chemical Property:

• PSA: 55.84000
• LogP: 0.32970
• Solubility.: Chloroform, Dichloromethane, Dimethylformamide
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 187.08445790
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

3-(3-Hydroxypropyl)-2-oxazolidinoneAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCCN1CCOC1=O
• Uses: 3-(3-Hydroxypropyl)-2-oxazolidinone Acetate cna be used in the preparation of Ifosfamide and Ifosfamide analogs.

Technology Process of 3-(2-oxo-1,3-oxazolidin-3-yl)propyl Acetate

There total 1 articles about 3-(2-oxo-1,3-oxazolidin-3-yl)propyl Acetate 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%

dimethylenecyclourethane (497-25-6) + 3-bromopropyl acetate (592-33-6) → 3-(2-oxo-1,3-oxazolidin-3-yl)-propylacetate (87010-30-8)

Guidance literature:

dimethylenecyclourethane; With sodium hydride; In N,N-dimethyl-formamide; at 50 ℃; for 1h;

3-bromopropyl acetate; In N,N-dimethyl-formamide; for 2h; Heating;

DOI:10.1002/jhet.5570380517

Reference yield: 95.0%

3-(2-oxo-1,3-oxazolidin-3-yl)-propylacetate (87010-30-8) → 3-(2-oxo-1,3-oxazolidin-3-yl)-propan-1-ol (87010-29-5)

Guidance literature:

With hydrazine hydrate; In methanol; at 50 ℃; for 4h;

DOI:10.1002/jhet.5570380517

Reference yield:

3-(2-oxo-1,3-oxazolidin-3-yl)-propylacetate (87010-30-8) → 2-(1-methyl-2-chloroethylamino)-3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide

Guidance literature:

Multi-step reaction with 3 steps

1.1: 95 percent / hydrazine hydrate / methanol / 4 h / 50 °C

2.1: 73 percent / HCl / tetrahydrofuran / 4 h / Heating

3.1: POCl₃; Et₃N / CH₂Cl₂ / 2 h

3.2: 52 percent / Et₃N / CH₂Cl₂ / 6 h / Heating

With hydrogenchloride; hydrazine hydrate; triethylamine; trichlorophosphate; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1002/jhet.5570380517

upstream raw materials:

dimethylenecyclourethane

3-bromopropyl acetate

Downstream raw materials:

3-(2-oxo-1,3-oxazolidin-3-yl)-propan-1-ol