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

Catalog Number	ACM174810094-2
CAS	174810-09-4
Structure
Synonyms	(R,R)-DACH-Naphthyl Trost ligand
IUPAC Name	2-diphenylphosphanyl-N-[(1R,2R)-2-[(2-diphenylphosphanylnaphthalene-1-carbonyl)amino]cyclohexyl]naphthalene-1-carboxamide
Molecular Weight	790.88
Molecular Formula	C52H44N2O2P2
InChI	VXFKMKXTPXVEMU-AWSIMMLFSA-N
InChI Key	InChI=1S/C52H44N2O2P2/c55-51(49-43-29-15-13-19-37(43)33-35-47(49)57(39-21-5-1-6-22-39)40-23-7-2-8-24-40)53-45-31-17-18-32-46(45)54-52(56)50-44-30-16-14-20-38(44)34-36-48(50)58(41-25-9-3-10-26-41)42-27-11-4-12-28-42/h1-16,19-30,33-36,45-46H,17-18,31-32H2,(H,53,55)(H,54,56)/t45-,46-/m1/s1
Melting Point	224-231 °C
Purity	95%+
Appearance	Solid
Isomeric SMILES	C1CC[C@H]([C@@H](C1)NC(=O)C2=C(C=CC3=CC=CC=C32)P(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)C6=C(C=CC7=CC=CC=C76)P(C8=CC=CC=C8)C9=CC=CC=C9
pKa	13.43±0.40(Predicted)

Q&A

What is the IUPAC name of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

The IUPAC name of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl) is 2-diphenylphosphanyl-N-[(1R,2R)-2-[(2-diphenylphosphanylnaphthalene-1-carbonyl)amino]cyclohexyl]naphthalene-1-carboxamide.

What is the molecular formula of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

The molecular formula of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl) is C52H44N2O2P2.

What is the molecular weight of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

The molecular weight of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl) is 790.9g/mol.

What is the CAS number of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

The CAS number of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl) is 174810-09-4.

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

The Canonical SMILES of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl) is C1CCC(C(C1)NC(=O)C2=C(C=CC3=CC=CC=C32)P(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)C6=C(C=CC7=CC=CC=C76)P(C8=CC=CC=C8)C9=CC=CC=C9.

How many defined atom stereocenters are present in (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

There are 2 defined atom stereocenters present in (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl).

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

The XLogP3 value of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl) is 11.4.

What is the topological polar surface area of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

The topological polar surface area of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl) is 58.2.

How many hydrogen bond donors are present in (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

There are 2 hydrogen bond donors present in (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl).

What is the InChIKey of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

The InChIKey of (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl) is VXFKMKXTPXVEMU-AWSIMMLFSA-N.