(1S)-1-[(2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-1,2-ethanediol

Base Information

Chemical Name:(1S)-1-[(2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-1,2-ethanediol
CAS No.:303176-43-4
Molecular Formula:C₁₁H₁₃FO₃
Molecular Weight:212.221
Hs Code.:
DSSTox Substance ID:DTXSID00466521
Nikkaji Number:J1.377.494C
Wikidata:Q82293099
Mol file:303176-43-4.mol

Synonyms:303176-43-4;(1'S,2R)-2-(1',2'-Dihydroxyethyl)-6-fluorochromane;(1S)-1-[(2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-1,2-ethanediol;(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethane-1,2-diol;SCHEMBL2287663;DTXSID00466521;(1 inverted exclamation mark S,2R)-2-(1 inverted exclamation mark ,2 inverted exclamation mark -Dihydroxyethyl)-6-fluorochromane

Suppliers and Price of (1S)-1-[(2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-1,2-ethanediol

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’S,2R)-2-(1’,2’-Dihydroxyethyl)-6-fluorochromane
50mg
$ 165.00

Biosynth Carbosynth
(1'S,2R)-2-(1',2'-Dihydroxyethyl)-6-fluorochromane
50 mg
$ 140.00

Biosynth Carbosynth
(1'S,2R)-2-(1',2'-Dihydroxyethyl)-6-fluorochromane
1 g
$ 1528.80

Biosynth Carbosynth
(1'S,2R)-2-(1',2'-Dihydroxyethyl)-6-fluorochromane
500 mg
$ 840.00

Biosynth Carbosynth
(1'S,2R)-2-(1',2'-Dihydroxyethyl)-6-fluorochromane
250 mg
$ 462.50

Biosynth Carbosynth
(1'S,2R)-2-(1',2'-Dihydroxyethyl)-6-fluorochromane
100 mg
$ 255.00

Total 21 raw suppliers

Chemical Property of (1S)-1-[(2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-1,2-ethanediol

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:384.8±37.0 °C(Predicted)
PKA:14.25±0.20(Predicted)
Density:1.308±0.06 g/cm3(Predicted)
Solubility.:Ethyl Acetate, Methanol,
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:212.08487243
Heavy Atom Count:15
Complexity:212

Purity/Quality:

99.9% ^*data from raw suppliers

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC2=C(C=CC(=C2)F)OC1C(CO)O
Isomeric SMILES:C1CC2=C(C=CC(=C2)F)O[C@H]1[C@H](CO)O
Uses (-)-Nebivolol intermediate.

Technology Process of (1S)-1-[(2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-1,2-ethanediol

There total 17 articles about (1S)-1-[(2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-1,2-ethanediol 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: 88.0%

: 197706-48-2
(2R)-6-fluoro-2-vinylchroman

: 303176-45-6
1-[6-fluoro-(2R)-3,4-dihydro-2H-benzopyran-2-yl]-(1R)-1,2-ethylene glycol

: 303176-43-4
1-[6-fluoro-(2R)-3,4-dihydro-2H-benzopyran-2-yl]-(1S)-1,2-ethylene glycol

Guidance literature:: With AD-mix-α; In water; tert-butyl alcohol; at 0 ℃; for 11h; diastereoselective reaction;
DOI:10.1002/ejoc.200800201

Reference yield: 65.0%

: 303176-38-7
5-(5-fluoro-2-hydroxy-phenyl)-E-2-penten-1-ol

: 303176-43-4
1-[6-fluoro-(2R)-3,4-dihydro-2H-benzopyran-2-yl]-(1S)-1,2-ethylene glycol

Guidance literature:: With titanium(IV) isopropylate; tert.-butylhydroperoxide; (-)-diethyl tartrate; at -20 ℃; for 4h;
DOI:10.1016/S0040-4020(00)00572-X

Reference yield:

: 793669-26-8,876514-31-7
[1S*(R*)]-6-fluoro-3,4-dihydro-2-(oxiran-2-yl)-2H-chromene

: 197706-51-7,793669-26-8,876514-31-7
(S)-6-fluoro-2-((R)-oxiran-2-yl)chroman

: 303176-43-4
1-[6-fluoro-(2R)-3,4-dihydro-2H-benzopyran-2-yl]-(1S)-1,2-ethylene glycol

Guidance literature:: [1S*(R*)]-6-fluoro-3,4-dihydro-2-(oxiran-2-yl)-2H-chromene; With oxygen; acetic acid; [(S,S)-N,N’-bis(3,5-di-tertbutylsalicylidene)-1,2-cyclohexanediaminato(2-)]cobalt(II); In tert-butyl methyl ether; toluene; at 20 ℃; for 1h; Resolution of racemate;

With water; In tert-butyl methyl ether; toluene; at 25 ℃; for 21h; Product distribution / selectivity;