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Merck
CN

697591

(R,R)-ANDEN-Phenyl Trost Ligand

technical grade

Synonym(s):

(+)-(11R,12R)Bis[2′-(diphenylphosphino)benzamido]-9,10-dihydro-9,10-ethanoanthracene, (11R,12R)-N,N′-(9,10-Dihydro-9,10-ethanoanthracene-11,12-diyl)bis[2-(diphenylphosphino)]benzamide

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About This Item

Empirical Formula (Hill Notation):
C54H42N2O2P2
CAS Number:
152140-65-3
Molecular Weight:
812.87
UNSPSC Code:
12352002
PubChem Substance ID:
329761935
MDL number:
MFCD12546007

Key Documents

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InChI

1S/C54H42N2O2P2/c57-53(45-33-17-19-35-47(45)59(37-21-5-1-6-22-37)38-23-7-2-8-24-38)55-51-49-41-29-13-15-31-43(41)50(44-32-16-14-30-42(44)49)52(51)56-54(58)46-34-18-20-36-48(46)60(39-25-9-3-10-26-39)40-27-11-4-12-28-40/h1-36,49-52H,(H,55,57)(H,56,58)/t49-,50+,51-,52-/m1/s1

SMILES string

O=C(N[C@H]1[C@H](NC(=O)c2ccccc2P(c3ccccc3)c4ccccc4)[C@H]5c6ccccc6[C@@H]1c7ccccc57)c8ccccc8P(c9ccccc9)c%10ccccc%10

InChI key

BEKZNCOFLFMFHP-HRHVFIINSA-N

grade

technical grade

form

solid

optical activity

[α]22/D -100°, c = 1 in chloroform

mp

125-130 °C

Application

Asymmetric allylic alkylation ligand.
Catalyst involved in asymmetric allylic alkylations

Legal Information

Sold in collaboration with Dr. Reddy′s Laboratories for research purposes only. US Patent 5739396 applies.

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBK0959V
MKBF8387V

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Asymmetric Transition Metal-Catalyzed Allylic Alkylations.
Barry M. Trost et al.
Chemical reviews, 96(1), 395-422 (1996-02-01)
Trost, B.M. et al.
Journal of the American Chemical Society, 124, 11616-11616 (2004)
Trost, B.M. et al.
Aldrichimica Acta, 40, 59-59 (2007)
Asymmetric transition-metal-catalyzed allylic alkylations: applications in total synthesis.
Barry M Trost et al.
Chemical reviews, 103(8), 2921-2944 (2003-08-14)

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