[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate

Base Information

Chemical Name:[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate
CAS No.:303176-40-1
Molecular Formula:C18H19FO5S
Molecular Weight:366.41
Hs Code.:
DSSTox Substance ID:DTXSID90586505
Wikidata:Q82478656
Mol file:303176-40-1.mol

Synonyms:303176-40-1;[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate;SCHEMBL8503342;DTXSID90586505;(1 inverted exclamation mark R,2S)-2-(2 inverted exclamation mark -Tosyl-1 inverted exclamation mark ,2 inverted exclamation mark -dihydroxyethyl)-6-fluorochromane

Suppliers and Price of [(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate

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

TRC
(1’R,2S)-2-(2’-Tosyl-1’,2’-dihydroxyethyl)-6-fluorochromane
25mg
$ 120.00

Medical Isotopes, Inc.
(1??R,2S)-2-(2??-Tosyl-1??,2??-dihydroxyethyl)-6-fluorochromane
50 mg
$ 650.00

Total 1 raw suppliers

Chemical Property of [(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate

Chemical Property:

Melting Point:103-105 °C(Solv: ethyl acetate (141-78-6))
Boiling Point:540.4±50.0 °C(Predicted)
PKA:13.59±0.20(Predicted)
PSA：81.21000
Density:1.340±0.06 g/cm3(Predicted)
LogP:3.67490
Solubility.:Chloroform, Dichloromethane, Methanol
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:366.09372304
Heavy Atom Count:25
Complexity:526

Purity/Quality:

97% ^*data from raw suppliers

(1’R,2S)-2-(2’-Tosyl-1’,2’-dihydroxyethyl)-6-fluorochromane ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)OCC(C2CCC3=C(O2)C=CC(=C3)F)O
Isomeric SMILES:CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]([C@@H]2CCC3=C(O2)C=CC(=C3)F)O
Uses (-)-Nebivolol intermediates.

Technology Process of [(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate

There total 14 articles about [(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate 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: 85.0%

: 98-59-9
p-toluenesulfonyl chloride

: 303176-39-8
1-[6-fluoro-(2S)-3,4-dihydro-2H-benzopyran-2-yl]-(1R)-1,2-ethylene glycol

: 303176-40-1
(R)-2-[(S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl-4-methylbenzenesulfonate

Guidance literature:: In pyridine; for 24h;
DOI:10.1055/s-2007-965993

Reference yield:

: 371-41-5
4-Fluorophenol

: 303176-40-1
(R)-2-[(S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl-4-methylbenzenesulfonate

Guidance literature:: Multi-step reaction with 4 steps

1: 89 percent / AlCl₃ / 2 h / 130 °C

2: 24 percent / pyrrolidine / toluene

3: 62 percent / hydrochloric acid; zinc / ethanol / 7 h / 65 °C

4: 85 percent / pyridine / 24 h

With hydrogenchloride; aluminium trichloride; zinc; pyrrolidine; In pyridine; ethanol; toluene;
DOI:10.1055/s-2007-965993

Reference yield:

: 394-32-1
1-(5-fluoro-2-hydroxyphenyl)ethan-1-one

: 303176-40-1
(R)-2-[(S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl-4-methylbenzenesulfonate

Guidance literature:: Multi-step reaction with 3 steps

1: 24 percent / pyrrolidine / toluene

2: 62 percent / hydrochloric acid; zinc / ethanol / 7 h / 65 °C

3: 85 percent / pyridine / 24 h

With hydrogenchloride; zinc; pyrrolidine; In pyridine; ethanol; toluene;
DOI:10.1055/s-2007-965993