(2S,4S)-(-)-4-Diphenylphosphino-2-(diphenylphosphinomethyl)pyrrolidine

HCID 10939369

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Grundinformationen

CAS: 61478-29-3
Standard-SMILES: c1ccc(P(C[C@@H]2C[C@H](P(c3ccccc3)c3ccccc3)CN2)c2ccccc2)cc1
InChIKey: PQHKXSOICTYGQD-OUTSHDOLSA-N
Summenformel: C29H29NP2
Durchschnittliche Molmasse: 453,5 g/mol
Monoisotopische Masse: 453,17752392

Namen und Bezeichner

Bevorzugter Name: (2S,4S)-(-)-4-Diphenylphosphino-2-(diphenylphosphinomethyl)pyrrolidine
IUPAC: [(3S,5S)-5-(diphenylphosphanylmethyl)pyrrolidin-3-yl]-diphenylphosphane
Englischer Name: (2S,4S)-4-Diphenylphosphino 2-diphenylphosphinomethyl pyrrolidine
Summenformel: C29H29NP2
Molmasse: 453.49

Namen und Synonyme

(2S,4S)-(-)-4-Diphenylphosphino-2-(diphenylphosphinomethyl)pyrrolidine(2S,4S)-4-(Diphenylphosphino)-2-((diphenylphosphino)methyl)pyrrolidine(2s,4s)-4-(diphenylphosphino)-2-[(diphenylphosphino)methyl]pyrrolidineRefChem:398972634-714-461478-29-3MFCD01630791MFCD00010275(2S,4S)-4-(diphenylphosphanyl)-2-((diphenylphosphanyl)methyl)pyrrolidine[(3S,5S)-5-(diphenylphosphanylmethyl)pyrrolidin-3-yl]-diphenylphosphaneC29H29NP2(2s,4s)-4-diphenylphosphino-2-diphenylphosphino-methylpyrrolidine

Weitere Namen anzeigen

PPM(-)-PPM(2S,4S)-PPM(2S 4S)-(-)-4-(DIPHENYLPHOSPHINO)-2-(DI&(S)-4-Diphenylphosphino-2-(Diphenylphosphino)pyrrolidine(diphenylphosphino)-2-(diphenylphosphinomethyl)pyrrolidine[2-(diphenylphosphinomethyl)-1-pyrrolidinyl]-diphenylphosphine(2S,4S)-2-Diphenylphosphinomethyl-4-(diphenylphosphino)pyrrolidine(2S)-2α-(Diphenylphosphinomethyl)-4α-(diphenylphosphino)pyrrolidine(2S,4S)-(-)-DIPHENYLPHOSPHINO 2-DIPHENYLPHOSPHINOMETHYL PYRROLIDINE

(2S,4S)-4-diphenylphosphino-2-diphenylphosphinomethylpyrrolidine(2S,4S)-4-(DIPHENYLPHOSPHANYL)-2-[(DIPHENYLPHOSPHANYL)METHYL]PYRROLIDINE77450-05-6SCHEMBL927238DTXSID701155302AKOS015895726(2R,4R)-(+)-2-(DiDB-009332

Datenbank-Bezeichner

CAS: 61478-29-3
PubChem CID: 10939369
DTXSID: DTXSID701155302
EC Number: 634-714-4
Nikkaji: J25.971C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,7
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 7
Schwere Atome: 32
Formalladung: 0
Komplexität: 493

Physikochemische Eigenschaften

Schmelzpunkt: 102 · 102-104 °C(lit.)
Siedepunkt: 575.8 · 575.8±35.0 °C(Predicted)
storage temp.: 0 · 0-6°C
pka: 9.87 · 9.87±0.10(Predicted)
Aggregatzustand: Powder
Farbe: white
InChI: InChI=1S/C29H29NP2/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)23-24-21-29(22-30-24)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,24,29-30H,21-23H2/t24-,29-/m0/s1
InChIKey: PQHKXSOICTYGQD-OUTSHDOLSA-N
SMILES: N1C[C@@H](P(C2=CC=CC=C2)C2=CC=CC=C2)C[C@H]1CP(C1=CC=CC=C1)C1=CC=CC=C1
CAS Datenbank: 61478 · 61478-29-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (97.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.