chempirical

(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. Search the SDS library

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

Weigh it out

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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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