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CAS No.: | 198479-63-9 |
---|---|
Name: | 3-METHYL-5-(PHENYLMETHOXY)-2-[4-(PHENYLMETHOXY)PHENYL]-1H-INDOLE |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C29H25NO2 |
Molecular Weight: | 419.523 |
Synonyms: | 3-METHYL-5-(PHENYLMETHOXY)-2-[4-(PHENYLMETHOXY)PHENYL]-1H-INDOLE;1H-Indole, 3-Methyl-5-(phenylMethoxy)-2-[4-(phenylMethoxy)phenyl]- |
EINECS: | 1592732-453-0 |
Density: | 1.189 g/cm3 |
Boiling Point: | 620.486 °C at 760 mmHg |
Flash Point: | 213.925 °C |
PSA: | 34.25000 |
LogP: | 7.30130 |
1-<4-(benzyloxy)phenyl>-2-bromo-1-propanone
4-benzyloxyaniline hydrochloride
5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 115℃; for 4h; Temperature; Reagent/catalyst; | 94.6% |
Stage #1: 1-<4-(benzyloxy)phenyl>-2-bromo-1-propanone; 4-benzyloxyaniline hydrochloride With triethylamine In butan-1-ol at 118℃; for 3h; Bischler-Moehlau Indole Synthesis; Stage #2: With hydrogenchloride In water; butan-1-ol at 118℃; for 7h; Temperature; Reagent/catalyst; Bischler-Moehlau Indole Synthesis; | 90.5% |
With triethylamine In N,N-dimethyl-formamide at 120 - 150℃; for 4h; Bischler indole synthesis; Inert atmosphere; | 84.9% |
4-benzyloxypropiophenone
4-benzyloxyphenylhydrazine hydrochloride
5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole
Conditions | Yield |
---|---|
With acetic acid In ethanol at 75 - 80℃; Product distribution / selectivity; | 94% |
acetic acid In ethanol at 75 - 80℃; for 12h; Product distribution / selectivity; | 94% |
With hydrogenchloride In ethanol for 2h; Reflux; | 84% |
5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole
Conditions | Yield |
---|---|
With sodium ethanolate In ethanol; dimethyl sulfoxide at 100℃; for 20h; | 85% |
With sodium ethanolate In dimethyl sulfoxide at 130℃; | 72% |
4-benzyloxyaniline hydrochloride
5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole
Conditions | Yield |
---|---|
In chlorobenzene at 125 - 130℃; for 8h; Large scale; | 83.5% |
1-(4-benzyloxyphenyl)-2-(4-benzyloxy-phenylamino)-1-propanone
4-benzyloxyaniline hydrochloride
5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole
Conditions | Yield |
---|---|
In isopropyl alcohol at 110 - 115℃; for 5h; Product distribution / selectivity; | 82% |
In ethanol at 110 - 115℃; for 5h; Product distribution / selectivity; | 79% |
1-(4-benzyloxyphenyl)-2-(4-benzyloxy-phenylamino)-1-propanone
p-benzyloxyaniline
5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole
Conditions | Yield |
---|---|
In 2-ethoxy-ethanol for 6h; Reflux; | 80.5% |
4-benzyloxyaniline hydrochloride
5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide for 2.5h; Reflux; | 65% |
p-benzyloxyaniline
5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole
Conditions | Yield |
---|---|
In dichloromethane; ethyl acetate; N,N-dimethyl-formamide | 33% |
In dichloromethane; ethyl acetate; N,N-dimethyl-formamide | 33% |
In dichloromethane; ethyl acetate; N,N-dimethyl-formamide | 33% |
p-benzyloxyaniline
5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole
Conditions | Yield |
---|---|
In dichloromethane; ethyl acetate; N,N-dimethyl-formamide | 33% |
p-benzyloxyaniline
4-benzyloxypropiophenone
5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 125℃; for 6h; | 23% |
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Molecular Structure of 3-Methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole (CAS NO.198479-63-9):
Systematic Name: 5-(Benzyloxy)-2-[4-(benzyloxy)phenyl]-3-methyl-1H-indole
Molecular Formula: C29H25NO2
Molecular Weight: 419.51
Mol File: 198479-63-9.mol
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 7
Index of Refraction: 1.66
Molar Refractivity: 130.27 cm3
Molar Volume: 352.8 cm3
Surface Tension: 50.2 dyne/cm
Density: 1.188 g/cm3
Flash Point: 213.9 °C
Enthalpy of Vaporization: 88.59 kJ/mol
Boiling Point: 620.5 °C at 760 mmHg
Vapour Pressure: 1.19E-14 mmHg at 25 °C
SMILES: O(c4ccc(c3c(c2cc(OCc1ccccc1)ccc2n3)C)cc4)Cc5ccccc5
InChI: InChI=1/C29H25NO2/c1-21-27-18-26(32-20-23-10-6-3-7-11-23)16-17-28(27)30-29(21)24-12-14-25(15-13-24)31-19-22-8-4-2-5-9-22/h2-18,30H,19-20H2,1H3
InChIKey: KRIJKJMYOVWRSJ-UHFFFAOYAN
3-Methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole (CAS NO.198479-63-9), its Synonyms are 1H-Indole,3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]- ; 5-(Benzyloxy)-2-[4-(benzyloxy)phenyl]-3-methyl-1H-indole ; 5-Benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole .