(R,R)-Hydrobenzoin

HCID 853019CAS 52340-78-0

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Grundinformationen

Standard-SMILES: O[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIKey: IHPDTPWNFBQHEB-ZIAGYGMSSA-N
Summenformel: C14H14O2
Durchschnittliche Molmasse: 214,26 g/mol
Monoisotopische Masse: 214,09937969

Überblick

(R,R)-hydrobenzoin is an ethanediol derivative and a hydrobenzoin.

Namen und Bezeichner

Bevorzugter Name: (R,R)-Hydrobenzoin
IUPAC: (1R,2R)-1,2-diphenylethane-1,2-diol
Englischer Name: (R,R)-(+)-Hydrobenzoin
Summenformel: C14H14O2
Molmasse: 214.26

Namen und Synonyme

(1R,2R)-1,2-diphenylethane-1,2-diol(R,R)-hydrobenzoinCHEBI:50014RefChem:407492810-277-7(R,R)-(+)-Hydrobenzoin52340-78-0(+)-hydrobenzoinHydrobenzoin, (+)-(+)-Dihydrobenzoin(R,R)-(+)-StilbenediolMFCD00064254

Weitere Namen anzeigen

(1R,2R)-(+)-1,2-DIPHENYL-1,2-ETHANEDIOL(R,R)-(+)-Hydrobenzoine(1R,2R)-(+)-HYDROBENZOIN(αR,βR)-Bibenzyl-α,β-diol(R,R)-(+)-Hydrobenzoin>(R,R)-(+)-Hydrobenzoin, 98+%(R,R)-(+)-1,2-DIPHENYLETHANEDIOL

WV0I33NONDHydrobenzoin D-form [MI](R,R)-(+)-1,2-Diphenyl-1,2-ethanediol(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol1,2-Ethanediol, 1,2-diphenyl-, (1R,2R)-1,2-Ethanediol, 1,2-diphenyl-, (1R,2R)-rel-(R,R)-1,2-Diphenylethylene glycolAKOS004908814

Datenbank-Bezeichner

CAS: 52340-78-0
PubChem CID: 853019
DTXSID: DTXSID40357388
ChEBI: CHEBI:50014
UNII: WV0I33NOND
EC Number: 810-277-7
Nikkaji: J236.668A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 171

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt: 146 · 146-149 °C(lit.)
Siedepunkt: 314.4 °C · 314.4°C (rough estimate)
Dichte: 1.0781 · 1.0781 (rough estimate)
Brechungsindex: 95 ° · 95 ° (C=1, CHCl3)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Soluble in DMSO
Aggregatzustand: Crystalline Powder or Crystals
pka: 13.38 · 13.38±0.20(Predicted)
Farbe: White to beige or light brown
Merck: 14 · 14,4777
BRN: 2050815 · 2050815
InChI: InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1
InChIKey: IHPDTPWNFBQHEB-ZIAGYGMSSA-N
SMILES: [C@H](C1=CC=CC=C1)(O)[C@@H](C1=CC=CC=C1)O
CAS Datenbank: 52340 · 52340-78-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Sicherheitsdaten

F: 10
wgk: 3
hs_code: 29062990
safety_code: 22-24/25
Speicherklasse: 13 - Non Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Anwendungen · 1 Eintrag

Verwenden(R,R)-(+)-Hydrobenzoin may be used in the oxyselenenylation step in the multi-step synthesis of cyclopentitols and aminocyclopentitols from cyclopentene. It may also be used as a ligand for the asymmetric addition of diethylzinc to aldehydes in the presence or absence of titanium tetra-isopropoxide to form (R)- or (S)-form of the corresponding secondary alcohol, respectively.