(3R,7AR)-3,7a-diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one

Base Information

Chemical Name:(3R,7AR)-3,7a-diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one
CAS No.:132959-39-8
Molecular Formula:C18H17 N O2
Molecular Weight:279.338
Hs Code.:29349990
DSSTox Substance ID:DTXSID90357530
Nikkaji Number:J2.947.500H
Wikidata:Q82137483
Mol file:132959-39-8.mol

Synonyms:132959-39-8;(3R,7AR)-3,7a-diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one;(3R,7aR)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one;(3R-CIS)-3,7A-DIPHENYLTETRAHYDROPYRROLO-[ 2,1-B]OXAZOL-5(6H)-ONE;Pyrrolo[2,1-b]oxazol-5(6H)-one, tetrahydro-3,7a-diphenyl-, (3R,7aR)-;AC1LGYT0;DTXSID90357530;(3R,7aR)-tetrahydro-3,7a-diphenylpyrrolo[2,1-b]oxazol-5(6H)-one;(3r-cis)-3,7a-Diphenyltetrahydropyrrolo-[2,1-b]oxazol-5(6H)-one

Suppliers and Price of (3R,7AR)-3,7a-diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-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

American Custom Chemicals Corporation
(3R-CIS)-3,7A-DIPHENYLTETRAHYDROPYRROLO-[ 2,1-B]OXAZOL-5(6H)-ONE 95.00%
5MG
$ 496.09

Total 7 raw suppliers

Chemical Property of (3R,7AR)-3,7a-diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one

Chemical Property:

Vapor Pressure:4.57E-09mmHg at 25°C
Melting Point:78 °C
Refractive Index:1.5100 (estimate)
Boiling Point:471.7°Cat760mmHg
Flash Point:239.1°C
PSA：29.54000
Density:1.26g/cm³
LogP:3.17120
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:279.125928785
Heavy Atom Count:21
Complexity:398

Purity/Quality:

98% ^*data from raw suppliers

(3R-CIS)-3,7A-DIPHENYLTETRAHYDROPYRROLO-[ 2,1-B]OXAZOL-5(6H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22
Safety Statements: 36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2(N(C1=O)C(CO2)C3=CC=CC=C3)C4=CC=CC=C4
Isomeric SMILES:C1C[C@]2(N(C1=O)[C@@H](CO2)C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of (3R,7AR)-3,7a-diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one

There total 1 articles about (3R,7AR)-3,7a-diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-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: 98.0%

: 56613-80-0
D-2-phenylglycinol

: 2051-95-8
succinylbenzene

: 132959-39-8,161970-71-4
(-)-(3R,7aR)-3-Phenyl-5-oxo-7a-phenyl-2,3,5,6,7,7a-hexahydropyrrolo<2,1-b>oxazole

Guidance literature:: In toluene; Heating;
DOI:10.1021/jo00007a011 DOI:10.1021/jo00032a012

Reference yield: 95.0%

: 132959-39-8,161970-71-4
(-)-(3R,7aR)-3-Phenyl-5-oxo-7a-phenyl-2,3,5,6,7,7a-hexahydropyrrolo<2,1-b>oxazole

: 132959-45-6
(-)-N-<2-(1-Hydroxy-2(R)-phenylethyl)>-5(S)-phenyl-2-pyrrolidine

Guidance literature:: With lithium aluminium tetrahydride; aluminium trichloride; In tetrahydrofuran; at -78 ℃;
DOI:10.1021/jo00007a011

Reference yield: 85.0%

: 132959-39-8,161970-71-4
(-)-(3R,7aR)-3-Phenyl-5-oxo-7a-phenyl-2,3,5,6,7,7a-hexahydropyrrolo<2,1-b>oxazole

: (5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-phenyl-2-pyrrolidone

Guidance literature:: (-)-(3R,7aR)-3-Phenyl-5-oxo-7a-phenyl-2,3,5,6,7,7a-hexahydropyrrolo<2,1-b>oxazole; With triethylsilane; In dichloromethane; at -78 ℃;

With titanium tetrachloride; In dichloromethane; at -78 - 20 ℃; for 13.5h; diastereoselective reaction;
DOI:10.1055/s-0030-1260949