(S,S)-Ts-DENEB (regR) - CAS 1384974-37-1
Catalog: |
BB076670 |
Product Name: |
(S,S)-Ts-DENEB (regR) |
CAS: |
1384974-37-1 |
Synonyms: |
chloro[4-methyl-N-[(1S,2S)-2-[(R)-[2-[[(1,2,3,4,5,6-η)-4-methylphenyl]methoxy]ethyl]amino-κN]-1,2-diphenylethyl]benzenesulfonamidato-κN]-Ruthenium stereoisomer; stereoisomer of Chloro[4-methyl-N-[(1S,2S)-2-[(R)-[2-[[(1,2,3,4,5,6-η)-4-methylphenyl]methoxy]ethyl]amino-κN]-1,2-diphenylethyl]benzenesulfonamidato-κN]ruthenium |
IUPAC Name: | chlororuthenium(1+)[(1S,2S)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide |
Description: | (S,S)-Ts-DENEB (regR) (CAS# 1384974-37-1) is a catalyst used in transfer hydrogenation reactions, such as in the selective asymmetric transfer hydrogenation of α-substituted acetophenones, and asymmetric transfer hydrogenation of aryl N-heteroaryl ketones. |
Molecular Weight: | 650.19 |
Molecular Formula: | C31H33ClN2O3RuS |
Canonical SMILES: | CC1=CC=C(C=C1)COCCNC(C2=CC=CC=C2)C(C3=CC=CC=C3)[N-]S(=O)(=O)C4=CC=C(C=C4)C.Cl[Ru+] |
InChI: | InChI=1S/C31H33N2O3S.ClH.Ru/c1-24-13-17-26(18-14-24)23-36-22-21-32-30(27-9-5-3-6-10-27)31(28-11-7-4-8-12-28)33-37(34,35)29-19-15-25(2)16-20-29/h3-20,30-32H,21-23H2,1-2H31H/q-1+2/p-1/t30-,31-/m0../s1 |
InChI Key: | INKUCOHLIHBSDN-YBZGWEFGSA-M |
References: | Wang, B.; et al. Organic Letters, 19, 2094 (2017); Yuki, Y.; et al. Advanced Synthesis and Catalysis, 360, 568 (2018). |
GHS Hazard Statement: | H373 (100%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] |
Precautionary Statement: | P260, P319, and P501 |
Signal Word: | Warning |
Complexity: | 739 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 650.094382 |
Formal Charge: | 0 |
Heavy Atom Count: | 39 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 650.094382 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 64.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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