(4S,5R)-4-(Propan-2-yl)-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one

Base Information

Chemical Name:(4S,5R)-4-(Propan-2-yl)-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
CAS No.:871210-22-9
Molecular Formula:C₁₄H₁₄F₁₃NO₂
Molecular Weight:475.25
Hs Code.:
DSSTox Substance ID:DTXSID30896231
Nikkaji Number:J2.266.435B
Wikidata:Q82872519
Mol file:871210-22-9.mol

Synonyms:871210-22-9;(4S,5R)-4-(Propan-2-yl)-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one;MFCD09834834;DTXSID30896231;(4S,5R)-4-propan-2-yl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one;NS00110090;(4S,5R)-(-)-4-i-Propyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2-oxazolidinone,99%;(4S,5R)-(-)-4-Isopropyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2-oxaZolidinone;(4S,5R)-(-)-4-Isopropyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2-oxazolidinone, 99%

Suppliers and Price of (4S,5R)-4-(Propan-2-yl)-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-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

Strem Chemicals
(4S,5R)-(-)-4-i-Propyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2-oxazolidinone, 99%
500mg
$ 383.00

Strem Chemicals
(4S,5R)-(-)-4-i-Propyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2-oxazolidinone, 99%
100mg
$ 95.00

American Custom Chemicals Corporation
(4S,5R)-(-)-4-I-PROPYL-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYL)-2-OXAZOLIDINONE 95.00%
500MG
$ 1244.28

American Custom Chemicals Corporation
(4S,5R)-(-)-4-I-PROPYL-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYL)-2-OXAZOLIDINONE 95.00%
100MG
$ 720.37

Total 2 raw suppliers

Chemical Property of (4S,5R)-4-(Propan-2-yl)-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one

Chemical Property:

Melting Point:96-99°C
Boiling Point:344.7±37.0 °C(Predicted)
PKA:12.51±0.60(Predicted)
PSA：38.33000
Density:1.430±0.06 g/cm3(Predicted)
LogP:5.96720
XLogP3:6.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:8
Exact Mass:475.0816948
Heavy Atom Count:30
Complexity:644

Purity/Quality:

99% ^*data from raw suppliers

(4S,5R)-(-)-4-i-Propyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2-oxazolidinone, 99% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1C(OC(=O)N1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric SMILES:CC(C)[C@H]1[C@H](OC(=O)N1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Uses A chiral fluorous support for conventional and high-throughput organic synthesis. Induces high stereoselectivity in aldol reactions, cycloadditions, conjugate additions and a variety of other reactions of N-acyl derivatives. The fluorous chain permits rapid and efficient isolation of products by solid phase extraction, using only minimal amounts of common solvents.Class of catalytic ligands which when used with a reducing agent, exhibit enantioselectivity in the reduction of a wide range of substrates.

Technology Process of (4S,5R)-4-(Propan-2-yl)-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one

There total 6 articles about (4S,5R)-4-(Propan-2-yl)-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-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:

: 871210-18-3
(2S,3R)-3-(tert-butoxycarbonylamino)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2-methyl-dodecan-4-ol

: 871210-22-9
(4S,5R)-4-iso-propyl-5-(1'H,1'H,2'H,2'H-perfluorooctyl)-2-oxazolidinone

Guidance literature:: With sodium hydride; In tetrahydrofuran;
DOI:10.1021/jo051696n

Reference yield:

: 871210-06-9
2(S)-(tert-butoxycarbonylamino)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2-methyl-dodecan-4-one

: 871210-22-9
(4S,5R)-4-iso-propyl-5-(1'H,1'H,2'H,2'H-perfluorooctyl)-2-oxazolidinone

Guidance literature:: Multi-step reaction with 2 steps

1: 97 percent / LiAlH(OtBu)3 / ethanol / -78 - 20 °C

2: NaH / tetrahydrofuran

With sodium hydride; lithium tri-t-butoxyaluminum hydride; In tetrahydrofuran; ethanol;
DOI:10.1021/jo051696n

Reference yield:

: 13734-41-3
t-Boc-L-valine

: 871210-22-9
(4S,5R)-4-iso-propyl-5-(1'H,1'H,2'H,2'H-perfluorooctyl)-2-oxazolidinone

Guidance literature:: Multi-step reaction with 4 steps

1.1: 87 percent / TBTU; DIPEA / acetonitrile / 3 h / 0 - 20 °C

2.1: t-BuLi / diethyl ether; hexane / -78 - -60 °C

2.2: diethyl ether; hexane / -78 - 20 °C

3.1: 97 percent / LiAlH(OtBu)3 / ethanol / -78 - 20 °C

4.1: NaH / tetrahydrofuran

With tert.-butyl lithium; sodium hydride; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; lithium tri-t-butoxyaluminum hydride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; diethyl ether; ethanol; hexane; acetonitrile;
DOI:10.1021/jo051696n