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92409-34-2

92409-34-2 Structure

92409-34-2 Structure
IdentificationBack Directory
[Name]

1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
[CAS]

92409-34-2
[Synonyms]

1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
1,3-Propanediol,1-(4-hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)-
[Molecular Formula]

C18H22O7
[MDL Number]

MFCD29047019
[MOL File]

92409-34-2.mol
[Molecular Weight]

350.36
Chemical PropertiesBack Directory
[Boiling point ]

581.1±50.0 °C(Predicted)
[density ]

1.279±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

9.93±0.36(Predicted)
[Appearance]

White to off-white Solid
Spectrum DetailBack Directory
[Spectrum Detail]

1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol(92409-34-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-(4-(Benzyloxy)-3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol

535967-76-1

1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol

92409-34-2

1-(4-(Benzyloxy)-3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol was synthesized from 1-(4-hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol (Compound 0193) by debenzylation reaction. The preparation of this compound followed the methods reported in the literature (Pardini, V.L., Smith, C.Z., Utley, J.H.P., Vargas, R.R., Viertler, H. J. Org. Chem. 1991, 56, 7305). * 1H NMR (300 MHz, CDCl3) δ: 7.14-6.90 (m, 4H), 6.68 (s, 2H, minor diastereoisomer), 6.62 (s, 2H, major diastereoisomer), 5.55 (s, 1H, minor diastereoisomer, -OH), 5.52 (s, 1H, major diastereoisomer, -OH), 4.95 (m, 1H), 4.14 (m, 1H, major diastereoisomer), 4.00 (m, 1H, minor diastereoisomer), 3.91 (s, 3H, minor diastereoisomer), 3.89 (s, 3H, major diastereoisomer), 3.88 (s, 6H, minor diastereoisomer), 3.86 (s, 6H, major diastereoisomer), 3.70-3.62 (m, 1H, major diastereoisomer). 3.70-3.62 (m, 1H, major diastereoisomer), 3.55-3.53 (m, 1H, minor diastereoisomer), 2.74 (bs, 1H). 13C NMR (75 MHz, CDCl3) Major diastereoisomers: δ 151.85, 147.32, 134.37, 131.19, 124.50, 121.89, 121.41, 112.41, 103.91, 102.9, 87.66, 73.14, 61.01, 56.58, 56.12; minor diastereoisomers: δ 151.6, 147.10, 134.71, 130.86, 124.56, 121.95, 121.31, 112.41, 103.90, 102.91, 89.74, 74.47, 61.16, 56.58, 56.14. HRMS (EI) C18H22O7NH4 [M + NH4]+ Calculated value 368.1709, measured value 368.1704.

[References]

[1] Patent: WO2015/138563, 2015, A1. Location in patent: Page/Page column 26
[2] Journal of the American Chemical Society, 2013, vol. 135, # 17, p. 6415 - 6418
[3] Patent: US2014/235838, 2014, A1. Location in patent: Paragraph 0070; 71; 0074; 0075
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