(1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl)

Catalog Number	ACM138517610-2
CAS	138517-61-0
Structure
Synonyms	(R,R)-1,2-Bis(Aminocarbonylphenyl-2'-Diphenylphosphino)Cyclohexane; (R,R)-DACH-Phenyl Trost Ligand
IUPAC Name	2-diphenylphosphanyl-N-[(1R,2R)-2-[(2-diphenylphosphanylbenzoyl)amino]cyclohexyl]benzamide
Molecular Weight	690.76
Molecular Formula	C44H40N2O2P2
InChI	AXMSEDAJMGFTLR-XRSDMRJBSA-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-/m1/s1
Boiling Point	817.0±65.0 °C(Predicted)
Melting Point	134-136 °C
Purity	98%
Appearance	Solid
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
pKa	13.35±0.40(Predicted)

Q&A

What is the IUPAC Name of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl)?

The IUPAC Name of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl) is 2-diphenylphosphanyl-N-[(1R,2R)-2-[(2-diphenylphosphanylbenzoyl)amino]cyclohexyl]benzamide.

What is the Monoisotopic Mass of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl)?

The Monoisotopic Mass of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl) is 690.25650252.

How many Heavy Atoms are present in (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl)?

There are 50 Heavy Atoms present in (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl).

What is the XLogP3 value of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl)?

The XLogP3 value of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl) is 8.9.

What is the Canonical SMILES of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl)?

The Canonical SMILES of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl) is 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.

What is the Depositor-Supplied Synonym for (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl)?

The Depositor-Supplied Synonym for (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl) is (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl).

What is the European Community (EC) Number for (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl)?

The European Community (EC) Number for (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl) is 811-290-0.

What is the exact Molecular Formula of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl)?

The exact Molecular Formula of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl) is C44H40N2O2P2.

What is the UNII code for (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl)?

The UNII code for (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl) is M4RRX95R5F.

What is the Wikipedia page related to (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl)?

The Wikipedia page related to (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl) is Trost_ligand.