(5S)-5-(Methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-YL]-1,3-oxazolidin-2-one

Base Information

Chemical Name:(5S)-5-(Methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-YL]-1,3-oxazolidin-2-one
CAS No.:185835-97-6
Molecular Formula:C₁₆H₁₇F₃N₂O₅
Molecular Weight:374.317
Hs Code.:
UNII:A8C48J5JCP
DSSTox Substance ID:DTXSID00430924
Wikidata:Q76411454
Pharos Ligand ID:VR8YSMFARSJR
ChEMBL ID:CHEMBL3354977
Mol file:185835-97-6.mol

Synonyms:185835-97-6;SL-25.1188;SL251188;(5S)-5-(METHOXYMETHYL)-3-[6-(4,4,4-TRIFLUOROBUTOXY)-1,2-BENZOXAZOL-3-YL]-1,3-OXAZOLIDIN-2-ONE;A8C48J5JCP;UNII-A8C48J5JCP;SL-251188;CHEMBL3354977;(5S)-5-(Methoxymethyl)-3-(6-(4,4,4-trifluorobutoxy)-1,2-benzisoxazol-3-yl)-2-oxazolidinone;2-Oxazolidinone, 5-(methoxymethyl)-3-(6-(4,4,4-trifluorobutoxy)-1,2-benzisoxazol-3-yl)-, (5S)-;2-Oxazolidinone, 5-(methoxymethyl)-3-(6-(4,4,4-trifluorobutoxy)-1,2-benzisoxazol-3-yl)-, (S)-;(S)-5-(methoxymethyl)-3-(6-(4,4,4-trifluorobutoxy)benzo[d]isoxazol-3-yl)oxazolidin-2-one;SCHEMBL7377168;DTXSID00430924;BDBM50041003;AKOS040749516;PD117914;HY-117502;CS-0066244;J-501623

Suppliers and Price of (5S)-5-(Methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-YL]-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

Total 5 raw suppliers

Chemical Property of (5S)-5-(Methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-YL]-1,3-oxazolidin-2-one

Chemical Property:

Boiling Point:444.8±45.0 °C(Predicted)
PKA:-1.10±0.30(Predicted)
PSA：74.03000
Density:1.358±0.06 g/cm3(Predicted)
LogP:3.58570
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:374.10895613
Heavy Atom Count:26
Complexity:493

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COCC1CN(C(=O)O1)C2=NOC3=C2C=CC(=C3)OCCCC(F)(F)F
Isomeric SMILES:COC[C@@H]1CN(C(=O)O1)C2=NOC3=C2C=CC(=C3)OCCCC(F)(F)F

Technology Process of (5S)-5-(Methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-YL]-1,3-oxazolidin-2-one

There total 5 articles about (5S)-5-(Methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-YL]-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: 76.0%

: (S)-3-(6-hydroxybenzo[d]isoxazol-3-yl)-5-(methoxymethyl)oxazolidin-2-one

: 406-81-5
1-Bromo-4,4,4-trifluorobutane

: 185835-97-6
SL25.1188

Guidance literature:: With potassium carbonate; In acetonitrile; Reflux;
DOI:10.1002/jlcr.3528

Reference yield:

: (S)-3-(6-(benzyloxy)benzo[d]isoxazol-3-yl)-5-(methoxymethyl)oxazolidin-2-one

: 185835-97-6
SL25.1188

Guidance literature:: Multi-step reaction with 2 steps

1: palladium on activated charcoal; hydrogen / tetrahydrofuran; ethanol / 20 °C

2: potassium carbonate / acetonitrile / Reflux

With palladium on activated charcoal; hydrogen; potassium carbonate; In tetrahydrofuran; ethanol; acetonitrile;
DOI:10.1002/jlcr.3528

Reference yield:

: 185836-35-5
2-fluoro-4-phenylmethoxybenzonitrile

: 185835-97-6
SL25.1188

Guidance literature:: Multi-step reaction with 5 steps

1.1: acetone oxime; potassium tert-butylate / tetrahydrofuran / 20 - 60 °C

1.2: 2 h / Reflux

2.1: pyridine / 4 h / 0 °C

3.1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 140 °C

4.1: palladium on activated charcoal; hydrogen / tetrahydrofuran; ethanol / 20 °C

5.1: potassium carbonate / acetonitrile / Reflux

With pyridine; palladium on activated charcoal; potassium tert-butylate; hydrogen; potassium carbonate; acetone oxime; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1002/jlcr.3528