(4R)-4-Phenyl-3-(1,2-propadienyl)-2-oxazolidinone

Base Information

Chemical Name:(4R)-4-Phenyl-3-(1,2-propadienyl)-2-oxazolidinone
CAS No.:256382-50-0
Molecular Formula:C12H11 N O2
Molecular Weight:201.225
Hs Code.:
DSSTox Substance ID:DTXSID30457942
Nikkaji Number:J1.340.894G
Mol file:256382-50-0.mol

Synonyms:256382-50-0;(4R)-4-PHENYL-3-(1,2-PROPADIENYL)-2-OXAZOLIDINONE;(4R)-4-phenyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one;DTXSID30457942;3-Propadienyl-4alpha-phenyloxazolidine-2-one;A5153;(4R)-4-Phenyl-3-propadienyl-1,3-oxazolidin-2-one

Suppliers and Price of (4R)-4-Phenyl-3-(1,2-propadienyl)-2-oxazolidinone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of (4R)-4-Phenyl-3-(1,2-propadienyl)-2-oxazolidinone

Chemical Property:

Vapor Pressure:0.000638mmHg at 25°C
Refractive Index:1.621
Boiling Point:309.5°C at 760 mmHg
PKA:-2.45±0.40(Predicted)
Flash Point:141°C
PSA：29.54000
Density:1.201g/cm³
LogP:2.41640
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:201.078978594
Heavy Atom Count:15
Complexity:288

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=C=CN1C(COC1=O)C2=CC=CC=C2
Isomeric SMILES:C=C=CN1[C@@H](COC1=O)C2=CC=CC=C2

Technology Process of (4R)-4-Phenyl-3-(1,2-propadienyl)-2-oxazolidinone

There total 2 articles about (4R)-4-Phenyl-3-(1,2-propadienyl)-2-oxazolidinone 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:

: 256382-74-8
(R)-4-phenyl-3-(prop-2-yn-1-yl)oxazolidin-2-one

: 256382-50-0
(4R)-4-phenyl-3-(1,2-propadienyl)-2-oxazolidinone

Guidance literature:: With potassium tert-butylate; tert-butyl alcohol; In tetrahydrofuran; at 20 ℃;
DOI:10.1016/S0040-4020(00)01014-0

Reference yield:

: 90319-52-1,7480-32-2
(4R)-phenyl-2-oxazolidinone

: 256382-50-0
(4R)-4-phenyl-3-(1,2-propadienyl)-2-oxazolidinone

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaH / tetrahydrofuran / 0.5 h / 20 °C

1.2: tetrahydrofuran / 20 °C

2.1: t-BuOK / tetrahydrofuran; 2-methyl-propan-2-ol / 20 °C

With potassium tert-butylate; sodium hydride; In tetrahydrofuran; tert-butyl alcohol;
DOI:10.1021/ol990345q

Reference yield: 95.0%

: 5176-27-2
N-tert-butyloxycarbonyl-pyrrole

: 74087-85-7
3,3-dimethyldioxirane

: 256382-50-0
(4R)-4-phenyl-3-(1,2-propadienyl)-2-oxazolidinone

: C₂₁H₂₄N₂O₅

Guidance literature:: N-tert-butyloxycarbonyl-pyrrole; 3,3-dimethyldioxirane; (4R)-4-phenyl-3-(1,2-propadienyl)-2-oxazolidinone; With 4 A molecular sieve; zinc(II) chloride; In diethyl ether; dichloromethane; acetone; at -45 ℃; for 48h;

With trifluoroacetic acid; In dichloromethane; for 12h; Further stages.;
DOI:10.1021/ol070103n