N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide)

Catalog Number	ACM169689058-1
CAS	169689-05-8
Structure
Synonyms	1S,2S-Dhac-phenyl trost ligand; (S,S)-DACH-phenyl Trost ligand
IUPAC Name	2-diphenylphosphanyl-N-[(1S,2S)-2-[(2-diphenylphosphanylbenzoyl)amino]cyclohexyl]benzamide
Molecular Weight	690.75
Molecular Formula	C44H40N2O2P2
Canonical SMILES	C1CCC(C(C1)NC(=O)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
InChI	AXMSEDAJMGFTLR-ZAQUEYBZSA-N
InChI Key	InChI=1S/C44H40N2O2P2/c47-43(37-27-13-17-31-41(37)49(33-19-5-1-6-20-33)34-21-7-2-8-22-34)45-39-29-15-16-30-40(39)46-44(48)38-28-14-18-32-42(38)50(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-14,17-28,31-32,39-40H,15-16,29-30H2,(H,45,47)(H,46,48)/t39-,40-/m0/s1
Boiling Point	817.0±65.0 °C(Predicted)
Melting Point	134-136 °C
Purity	97%
Appearance	White to off-white powder
Exact Mass	690.25650252
Heavy Atom Count	50
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isomeric SMILES	C1CC[C@@H]([C@H](C1)NC(=O)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
Monoisotopic Mass	690.25650252
Rotatable Bond Count	10
Topological Polar Surface Area	58.2 Ų

Q&A

What is the chemical name of N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide)?

The chemical name of N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide) is (1S,2S)-(-)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl).

What is the molecular weight of N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide)?

The molecular weight of N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide) is 690.76.

What are the product categories that N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide) belongs to?

The compound belongs to the product categories of Chiral Nitrogen and DACH&Trost Series.

What is the melting point of N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide)?

The melting point of N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide) is 134-136°C.

How should N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide) be stored?

The compound should be stored under inert gas (nitrogen or Argon) at 2-8°C.

What is the form of N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide)?

The compound is in the form of a powder.

What is the optical activity of N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide)?

The optical activity of N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide) is [α]20/D -134°, c = 1 in methanol.

What is the risk statement associated with N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide)?

The risk statement associated with N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide) is 36/37/38.

What is the safety statement related to N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide)?

The safety statement related to N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide) is 26-36/37/39.

What are the uses of N,N'-((1S,2S)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide)?

The compound is used as Trost Ligands for Asymmetric Allylic Alkylation.