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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H40N2O2P2
Molecular Weight 690.7481
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Trost ligand, (S,S)-

SMILES

O=C(N[C@H]1CCCC[C@@H]1NC(=O)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=AXMSEDAJMGFTLR-ZAQUEYBZSA-N
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

HIDE SMILES / InChI

Molecular Formula C44H40N2O2P2
Molecular Weight 690.7481
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 16:00:02 GMT 2025
Edited
by admin
on Wed Apr 02 16:00:02 GMT 2025
Record UNII
T95SF6N9YE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Trost ligand, (S,S)-
Common Name English
1S,2S-DHAC-Phenyl Trost Ligand
Preferred Name English
(1S,2S)-(-)-1,2-Diaminocyclohexane-n,n'-bis(2'-diphenylphosphinobenzoyl)
Systematic Name English
Benzamide, N,N?-(1S,2S)-1,2-cyclohexanediylbis[2-(diphenylphosphino)-
Systematic Name English
(S,S)-Trost ligand
Common Name English
Benzamide, N,N?-1,2-cyclohexanediylbis[2-(diphenylphosphino)-, (1S-trans)-
Systematic Name English
N,N?-(1S,2S)-1,2-Cyclohexanediylbis[2-(diphenylphosphino)benzamide
Systematic Name English
Code System Code Type Description
FDA UNII
T95SF6N9YE
Created by admin on Wed Apr 02 16:00:02 GMT 2025 , Edited by admin on Wed Apr 02 16:00:02 GMT 2025
PRIMARY
PUBCHEM
10963521
Created by admin on Wed Apr 02 16:00:02 GMT 2025 , Edited by admin on Wed Apr 02 16:00:02 GMT 2025
PRIMARY
CAS
169689-05-8
Created by admin on Wed Apr 02 16:00:02 GMT 2025 , Edited by admin on Wed Apr 02 16:00:02 GMT 2025
PRIMARY
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