Methyl-duphos, (R,R)-

HCID 2734551

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Grundinformationen

CAS: 147253-67-6
Standard-SMILES: C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C
InChIKey: AJNZWRKTWQLAJK-KLHDSHLOSA-N
Summenformel: C18H28P2
Durchschnittliche Molmasse: 306,4 g/mol
Monoisotopische Masse: 306,16662489

Namen und Bezeichner

Bevorzugter Name: Methyl-duphos, (R,R)-
IUPAC: (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane
Englischer Name: (-)-1,2-BIS[(2R,5R)-2,5-DIMETHYLPHOSPHOLANO]BENZENE
Summenformel: C18H28P2
Molmasse: 306.36

Namen und Synonyme

147253-67-6(R,R)-Methyl-DUPHOS(R,R)-Me-DUPHOSMethyl-duphos, (R,R)-(R,R)-MeduphosMethyl-duphos, (-)-(2R,5R)-Me-duphos(R,R)-Me-duphos [MI](-)-1,2-Bis[(2R,5R)-2,5-dimethylphospholano]benzeneUNII-H5W03D1HAQH5W03D1HAQ(-)-1,2-Bis((2R,5R)-2,5-dimethylphospholano)benzene

Weitere Namen anzeigen

an-1-yL()-1,2-Bis[(2R,5R)-2,5-dimethylphospholano]benzene(-)-1,2-Bis((2R,5R)-2,5-dimethylphospholano)benzen1,2-Bis[(2R,5R)-2,5-dimethyl-1-phospholanyl]benzene(-)-1,2-bis-((2R,5R)-2,5-Dimethylphospholano)benzene(-) -1,2-bis ((2R, 5R) -2,5-dimethylphosphorus) benzene

(R,R)-1,2-Bis(2,5-dimethylphospholano)benzeneDTXSID20163641Phospholane, 1,1'-(1,2-phenylene)bis(2,5-dimethyl-, (2R,2'R,5R,5'R)-Phospholane, 1,1'-(1,2-phenylene)bis[2,5-dimethyl-, (2R,2'R,5R,5'R)-RefChem:158117DTXCID5086132604-579-61,2-Bis((2R,5R)-2,5-dimethylphospholan-1-yl)benzene

Datenbank-Bezeichner

CAS: 147253-67-6
PubChem CID: 2734551
DTXSID: DTXSID20163641
UNII: H5W03D1HAQ
EC Number: 604-579-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 2
Schwere Atome: 20
Formalladung: 0
Komplexität: 277

Physikochemische Eigenschaften

Schmelzpunkt: 66 · 66-76 °C
Siedepunkt: 415 · 415.0±15.0 °C(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: crystal
Farbe: white
Wasserlöslichkeit: Insoluble in water.
BRN: 4810602 · 4810602
InChI: 1S/C18H28P2/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4/h5-8,13-16H,9-12H2,1-4H3/t13-,14-,15-,16-/m1/s1
InChIKey: AJNZWRKTWQLAJK-KLHDSHLOSA-N
SMILES: C[C@@H]1CC[C@@H](C)P1c2ccccc2P3[C@H](C)CC[C@H]3C
CAS Datenbank: 147253 · 147253-67-6

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

F: 10-23
wgk: 3
hs_code: 2934999090
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden1,2-Bis[(2R,5R)-2,5-dimethyl-1-phospholanyl]benzene is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. It is used as highly efficient privileged ligands.