4,4'-Bi-1,3-benzodioxole-5,5'-diylbis(diphenylphosphine)

HCID 11017510

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Grundinformationen

CAS: 210169-54-3
Standard-SMILES: c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1
InChIKey: RZZDRSHFIVOQAF-UHFFFAOYSA-N
Summenformel: C38H28O4P2
Durchschnittliche Molmasse: 610,6 g/mol
Monoisotopische Masse: 610,14628337

Namen und Bezeichner

Bevorzugter Name: 4,4'-Bi-1,3-benzodioxole-5,5'-diylbis(diphenylphosphine)
IUPAC: [4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane
Englischer Name: (S)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole
Summenformel: C38H28O4P2
Molmasse: 610.57

Namen und Synonyme

210169-54-34,4'-Bi-1,3-benzodioxole-5,5'-diylbis(diphenylphosphine)RefChem:506517811-741-1244261-66-3SEGPHOS(R)-SEGPHOS(S)-SEGPHOS(R)-5,5'-Bis(diphenylphosphino)-4,4'-bibenzo[d][1,3]dioxole244261-75-4(S)-(-)-SEGPHOS(R)-(+)-5,5'-BIS(DIPHENYLPHOSPHINO)-4,4'-BI-1,3-BENZODIOXOLE

Weitere Namen anzeigen

(±)-SegPhos(S)-SEGPHOS(R)(S)-SEGPHOS(R) >=94%(S)-(-)-SEGPHOS(regR)(S)-(-)-SEGPHOS(S)-(-)-SEGPHOS(S)-SEGPHOS?-bi-1,3-benzodioxole,(S)-(-)-SEGPHOS(S)-5,5'-Bis(diphenylphosphino)-4,4'-bibenzodioxole(S)-5,5'-bis(diphenylphosphino)-4,4'-di-1,3-benzenebenzodi

(R)-(+)-SEGPHOS5,5'-Bis(diphenylphosphino)-4,4'-bibenzo[d][1,3]dioxole(S)-(-)-5,5'-BIS(DIPHENYLPHOSPHINO)-4,4'-BI-1,3-BENZODIOXOLE(S)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole(S)-DM-SEGPHOSMFCD09753005[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole

Datenbank-Bezeichner

CAS: 210169-54-3、244261-66-3
PubChem CID: 11017510
DTXSID: DTXSID101145953
EC Number: 811-741-1
Nikkaji: J1.672.856J、J2.201.579F、J2.233.087J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 8,5
Polarare Oberfläche (TPSA): 36,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 7
Schwere Atome: 44
Formalladung: 0
Komplexität: 787

Physikochemische Eigenschaften

Schmelzpunkt: 231 · 231-235 °C
Siedepunkt: 715.4 · 715.4±60.0 °C(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Powder
Farbe: off-white
InChIKey: RZZDRSHFIVOQAF-UHFFFAOYSA-N
SMILES: C1(C2OCOC=2C=CC=1P(C1C=CC=CC=1)C1=CC=CC=C1)C1C2OCOC=2C=CC=1P(C1=CC=CC=C1)C1=CC=CC=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Sicherheitsdaten

wgk: 3
hs_code: 2932.99.7000
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(S)-(-)-SEGPHOS is a chelating ligand used to prepare coordination complex catalysts, such as its use in Pd catalysts for the enantioselective synthesis of spiro- or benzofused hetereocycles with exocyclic olefins via enantioselective intramolecular dearomative Heck reaction of indoles, benzofurans, pyrroles and furans.