(2S,4S,5S)-5-Amino-2-(Boc-amino)-4-hydroxy-1,6-diphenylhexane - CAS 144163-85-9
Catalog: |
BB009734 |
Product Name: |
(2S,4S,5S)-5-Amino-2-(Boc-amino)-4-hydroxy-1,6-diphenylhexane |
CAS: |
144163-85-9 |
Synonyms: |
N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamic acid tert-butyl ester; tert-butyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate |
IUPAC Name: | tert-butyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate |
Description: | An Intermediate in the synthesis of lopinavir and ritonavir. |
Molecular Weight: | 384.51 |
Molecular Formula: | C23H32N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)N)O |
InChI: | InChI=1S/C23H32N2O3/c1-23(2,3)28-22(27)25-19(14-17-10-6-4-7-11-17)16-21(26)20(24)15-18-12-8-5-9-13-18/h4-13,19-21,26H,14-16,24H2,1-3H3,(H,25,27)/t19-,20-,21-/m0/s1 |
InChI Key: | UKFHOTNATOJBKZ-ACRUOGEOSA-N |
Boiling Point: | 569.182 °C at 760 mmHg |
Density: | 1.11 g/cm3 |
Appearance: | White powder |
MDL: | MFCD09833420 |
LogP: | 4.53460 |
GHS Hazard Statement: | H318 (95.56%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P273, P280, P305+P351+P338, P310, P391, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111393329-A | Preparation method of ritonavir and lopinavir intermediate | 20200416 |
JP-2015510509-A | Methods and intermediates for preparing pharmaceuticals | 20120203 |
US-2014364602-A1 | Methods and intermediates for preparing pharmaceutical agents | 20120203 |
US-9346796-B2 | Methods and intermediates for preparing pharmaceutical agents | 20120203 |
WO-2013116715-A1 | Methods and intermediates for preparing pharmaceutical agents | 20120203 |
Complexity: | 451 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 384.24129289 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 384.24129289 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 84.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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