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TsDPEN

CAT: 0804-HY-W002878-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W002878-02Size:5 g
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Description
TsDPEN (Compound 2) is a biochemical reagent. TsDPEN derivatives containing N, N, N imide chiral ligands can be applied to copper catalyzed asymmetric Kinugasa reactions[1][2].
CAS Number
144222-34-4
UNSPSC
12352200
Hazard Statement
H315, H319, H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/tsdpen.html
Purity
99.71
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
N[C@@H]([C@H](NS(C1=CC=C(C)C=C1)(=O)=O)C2=CC=CC=C2)C3=CC=CC=C3
Molecular Formula
C21H22N2O2S
Molecular Weight
366.48
Precautions
H315, H319, H335
References & Citations
[1]Hayes A, et al. The importance of 1, 2-anti-disubstitution in monotosylated diamine ligands for ruthenium (II) -catalysed asymmetric transfer hydrogenation. Tetrahedron: Asymmetry, 2004, 15 (13) : 2079-2084.|[2]Xu C, et al. Development of TsDPEN based imine-containing ligands for the copper-catalysed asymmetric Kinugasa reaction. RSC Adv. 2020 May 12;10 (31) :18107-18114.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

N-((1R,2R)-2-Amino-1,2-diphenylethyl)-4-methylbenzene-1-sulfonamide

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CAS Number144222-34-4
PubChem CID2734565
IUPAC NameN-[(1R,2R)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide
Molecular FormulaC21H22N2O2S
Molecular Weight366.5
XLogP3.4
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity511
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)N
InChI
InChI=1S/C21H22N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,20-21,23H,22H2,1H3/t20-,21-/m1/s1
InChIKey
UOPFIWYXBIHPIP-NHCUHLMSSA-N
Chemical Structure
2D Structure
2D structure of N-((1R,2R)-2-Amino-1,2-diphenylethyl)-4-methylbenzene-1-sulfonamide
CAS: 144222-34-4
CID: 2734565
Formula: C21H22N2O2S
MW: 366.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight366.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass366.14019912
Monoisotopic Mass366.14019912
Topological Polar Surface Area80.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes