(2S,4S)-(-)-N-Boc-4-diphenylphosphino-2-diphenylphosphinomethyl-pyrrolidine

C34H37NO2P2CAS 61478-28-2553.62 g/mol

Open in Covalent MOL file
OONPP
CarbamatePhosphine

Properties

Molecular formula
C34H37NO2P2
Molar mass
553.62 g/mol
Exact mass
553.2300 Da
logP
6.63Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
61478-28-2
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1CP(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5
InChIKey
BFMKBYZEJOQYIM-UCGGBYDDSA-N
InChI
InChI=1S/C34H37NO2P2/c1-34(2,3)37-33(36)35-25-32(39(30-20-12-6-13-21-30)31-22-14-7-15-23-31)24-27(35)26-38(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h4-23,27,32H,24-26H2,1-3H3/t27-,32-/m0/s1

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Work with (2S,4S)-(-)-N-Boc-4-diphenylphosphino-2-diphenylphosphinomethyl-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-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate61478-26-044 % similar 1,1-Dimethylethyl (2S)-2-(phenylmethyl)-1-piperazinecarboxylate169447-86-343 % similar 1-Boc-2-benzyl-piperidin-4-one193480-28-343 % similar 1,1-Dimethylethyl 2-(phenylmethyl)-1-piperazinecarboxylate481038-63-543 % similar (1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane113451-59-543 % similar tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride134003-84-243 % similar 1,1-Dimethylethyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate198835-06-243 % similar 2,5-Diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester198989-07-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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