(4S)-4-benzyl-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one

Base Information

Chemical Name:(4S)-4-benzyl-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CAS No.:652157-27-2
Molecular Formula:C14H17NO3
Molecular Weight:247.294
Hs Code.:
DSSTox Substance ID:DTXSID00465852
Nikkaji Number:J1.884.468K
Wikidata:Q82292119

Synonyms:652157-27-2;(S)-4-Benzyl-3-isobutyryloxazolidin-2-one;(4S)-4-benzyl-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one;(4S)-3-Isobutyryl-4-benzyloxazolidine-2-one;SCHEMBL5065685;DTXSID00465852;CCG-257517;S-4-benzyl-3-isobutyryloxazolidin-2-one;CS-0099006;D75986

Suppliers and Price of (4S)-4-benzyl-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one

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

ChemScene
(S)-4-Benzyl-3-isobutyryloxazolidin-2-one
1g
$ 1144.00

Total 3 raw suppliers

Chemical Property of (4S)-4-benzyl-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one

Chemical Property:

Melting Point:65-66 °C
Boiling Point:400.8±14.0 °C(Predicted)
PSA：46.61000
Density:1.176±0.06 g/cm3(Predicted)
LogP:2.17040
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:247.12084340
Heavy Atom Count:18
Complexity:321

Purity/Quality:

NLT 98% ^*data from raw suppliers

(S)-4-Benzyl-3-isobutyryloxazolidin-2-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(=O)N1C(COC1=O)CC2=CC=CC=C2
Isomeric SMILES:CC(C)C(=O)N1[C@H](COC1=O)CC2=CC=CC=C2

Technology Process of (4S)-4-benzyl-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one

There total 2 articles about (4S)-4-benzyl-3-(2-methylpropanoyl)-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: 91.0%

: 90719-32-7
(S)-4-Benzyl-2-oxazolidinone

: 79-30-1
isobutyryl chloride

: 652157-27-2
(S)-3-(2-methyl-1-oxopropyl)-4-phenylmethyl-2-oxazolidinone

Guidance literature:: With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃;
DOI:10.1021/jo800076f

Reference yield: 78.0%

: 131685-53-5,101711-78-8
(S)-4-benzyl-3-propionyl-2-oxazolidinone

: 74-88-4
methyl iodide

: 652157-27-2
(S)-3-(2-methyl-1-oxopropyl)-4-phenylmethyl-2-oxazolidinone

Guidance literature:: (S)-4-benzyl-3-propionyl-2-oxazolidinone; With sodium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 1h;

methyl iodide; In tetrahydrofuran; at -78 ℃; for 4h;
DOI:10.1021/np4001027

Reference yield: 82.0%

: 652157-27-2
(S)-3-(2-methyl-1-oxopropyl)-4-phenylmethyl-2-oxazolidinone

: 75866-74-9
(S)-4,5-dihydro-2-(1-methylethyl)-4-(phenylmethyl)oxazole

Guidance literature:: (S)-3-(2-methyl-1-oxopropyl)-4-phenylmethyl-2-oxazolidinone; With ammonium chloride; lithium iodide; In chloroform; at 50 ℃; for 16h;

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In chloroform; at 20 ℃; for 6h; Further stages.;
DOI:10.1021/jo800076f