(2S,4S)-4-(Diphenylphosphino)-2-[(diphenylphosphino)methyl]pyrrolidine

C₂₉H₂₉NP₂CAS 61478-29-3453.51 g/mol

Open in Covalent MOL file

Phosphine Secondary amine

Properties

Molecular formula: C₂₉H₂₉NP₂
Molar mass: 453.51 g/mol
Exact mass: 453.1775 Da
Melting point: 103–104 °C
logP: 4.98Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 7
Stereocentres: S, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed97.4% of notifiers
H312 Harmful in contact with skin97.4% of notifiers
H332 Harmful if inhaled97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

61478-29-3

SMILES

c1ccc(P(C[C@@H]2C[C@H](P(c3ccccc3)c3ccccc3)CN2)c2ccccc2)cc1

InChIKey

PQHKXSOICTYGQD-OUTSHDOLSA-N

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

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Names and synonyms

5 names

Pyrrolidine, 4-(diphenylphosphino)-2-[(diphenylphosphino)methyl]-, (2S,4S)-
Pyrrolidine, 4-(diphenylphosphino)-2-[(diphenylphosphino)methyl]-, (2S-cis)-
(2S,4S)-PPM
(2S,4S)-(-)-4-(Diphenylphosphino)-2-[(diphenylphosphino)methyl]pyrrolidine
(2S,4S)-(-)-4-Diphenylphosphino-2-(diphenylphosphinomethyl)pyrrolidine

Work with (2S,4S)-4-(Diphenylphosphino)-2-[(diphenylphosphino)methyl]pyrrolidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1'-((1R)-1-Methyl-1,2-ethanediyl)bis(diphenylphosphine)67884-32-646 % similar Cyclohexyldiphenylphosphine6372-42-542 % similar (2S,4S)-(-)-N-Boc-4-diphenylphosphino-2-diphenylphosphinomethyl-pyrrolidine61478-28-240 % similar (2S,4S)-(-)-2,4-Bis(diphenylphosphino)pentane77876-39-238 % similar Benzyldiphenylphosphine7650-91-137 % similar 1,2-Bis(diphenylphosphino)ethane1663-45-236 % similar Bis(diphenylphosphino)methane2071-20-736 % similar (2S)-2-Benzylaziridine73058-30-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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