tert-butyl(5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy)dimethylsilane

• ChemBase ID: 179183
• Molecular Formular: C23H32O4Si
• Molecular Mass: 400.58328
• Monoisotopic Mass: 400.20698604
• SMILES: c1(cc(cc(c1)/C=C\c1cc(c(cc1)OC)O[Si](C(C)(C)C)(C)C)OC)OC
• Canonical SMILES: COc1ccc(cc1O[Si](C(C)(C)C)(C)C)/C=C\c1cc(OC)cc(c1)OC
• InChI: InChI=1S/C23H32O4Si/c1-23(2,3)28(7,8)27-22-15-17(11-12-21(22)26-6)9-10-18-13-19(24-4)16-20(14-18)25-5/h9-16H,1-8H3/b10-9-
• InChIKey: DDFSHSMPMRHYOG-KTKRTIGZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy)dimethylsilane
• IUPAC Traditional name: tert-butyl(5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy)dimethylsilane
• Synonyms: [5-[2-(3,5-Dimethoxyphenyl)ethenyl]-2-methoxyphenoxy](1,1-dimethylethyl)dimethyl-silane; (E/Z)-3,4',5-Trimethoxy-3'-(tert-butyldimethylsilyloxy)stilbene; 4-[(1Z)-2-(3,5-Dimethoxyphenyl)ethenyl]-2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-methoxy-benzene; [5-[(1Z)-2-(3,5-Dimethoxyphenyl)ethenyl]-2-methoxyphenoxy](1,1-dimethylethyl)dimethyl-silane; (Z)-3,4',5-Trimethoxy-3'-(tert-butyldimethylsilyloxy)stilbene

Database IDs

• CAS Number: 586410-23-3
• PubChem SID: 164235093
• PubChem CID: 11143849

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.9348
• LogD (pH = 7.4): 5.9348
• Log P: 5.9348
• Molar Refractivity: 112.7314 cm^3
• Polarizability: 45.728165 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: Brown Oil; Pale Brown Oil

DETAILS

Toronto Research Chemicals - T795661

Intermediate in the production of anticancer/antitumor stilbene derivatives.

Toronto Research Chemicals - T795660

Intermediate in the production of anticancer/antitumor stilbene derivatives.

REFERENCES

• Roberti, M., et al.: J. Med. Chem., 46, 3546 (2003)
• Gao, M., et al.: Bioorg. Med. Chem. Lett., 16, 5767 (2003)
• Simoni, D., et al.: Bioorg. Med. Chem., 17, 512 (2003)
• Roberti, M., et al.: J. Med. Chem., 46, 3546 (2003)
• Gao, M., et al.: Bioorg. Med. Chem. Lett., 16, 5767 (2003)
• Simoni, D., et al.: Bioorg. Med. Chem., 17, 512 (2003)