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Details

Stereochemistry RACEMIC
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, trans-

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-XRSDMRJBSA-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-/m1/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 14:44:29 GMT 2025
Edited
by admin
on Wed Apr 02 14:44:29 GMT 2025
Record UNII
TT355ZLB4Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Trost ligand, trans-
Common Name English
DACH-phenyl Trost ligand
Preferred Name English
trans-1,2-Bis[2-(diphenylphosphino)benzamido]cyclohexane
Systematic Name English
Benzamide, N,N?-(1R,2R)-1,2-cyclohexanediylbis[2-(diphenylphosphino)-, rel-
Systematic Name English
Benzamide, N,N?-1,2-cyclohexanediylbis[2-(diphenylphosphino)-, trans-
Systematic Name English
rel-N,N?-(1R,2R)-1,2-Cyclohexanediylbis[2-(diphenylphosphino)benzamide]
Systematic Name English
Code System Code Type Description
FDA UNII
TT355ZLB4Y
Created by admin on Wed Apr 02 14:44:29 GMT 2025 , Edited by admin on Wed Apr 02 14:44:29 GMT 2025
PRIMARY
CAS
173935-20-1
Created by admin on Wed Apr 02 14:44:29 GMT 2025 , Edited by admin on Wed Apr 02 14:44:29 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE