Name | 3-Methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole |
Synonyms | 5-(BenzyL 5-(Benzyloxy) oxy)-2-(4-(benzyL Bazedoxifene Impurity 11 Bazedoxifene intermediate I 5-(Benzloxy)-2-(4-(Benzyloxy-Phenyl)-3-Methyl-1H-INDOLE 5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole 5-(benzyloxy)-2-[4-(benzyloxy)phenyl]-3-methyl-1H-indole 3-METHYL-5-(PHENYLMETHOXY)-2-[4-(PHENYLMETHOXY)PHENYL]-1H-INDOLE 3-Methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole 1H-Indole, 3-Methyl-5-(phenylMethoxy)-2-[4-(phenylMethoxy)phenyl]- |
CAS | 198479-63-9 |
EINECS | 1592732-453-0 |
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 |
Molecular Formula | C29H25NO2 |
Molar Mass | 419.51 |
Density | 1.188±0.06 g/cm3(Predicted) |
Melting Point | >143°C (dec.) |
Boling Point | 620.5±55.0 °C(Predicted) |
Flash Point | 213.9°C |
Solubility | DMSO (Slightly), Methanol (Very Slightly, Heated) |
Vapor Presure | 1.19E-14mmHg at 25°C |
Appearance | Solid |
Color | Light Beige |
pKa | 16.89±0.30(Predicted) |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | 1.66 |
HS Code | 29339900 |
Use | 3-methyl-5-benzyloxy-2-(4-benzyloxyphenyl)-1H-indole is a heterocyclic compound used as a pharmaceutical intermediate. |
preparation | using 4'-benzoxy-2-bromophenylacetone and 4-benzoxyaniline hydrochloride as starting materials to form an indole ring under alkaline conditions, preparation of 3-methyl-5-benzyloxy-2-(4-benzyloxyphenyl)-1H-indole. The synthesis reaction formula is as follows: synthesis of 3-methyl-5-benzyloxy-2-(4-benzyloxyphenyl)-1H-indole Synthesis of reaction formula 5-benzyloxy-2-(4-benzyloxyphenyl)-3-methyl-1H-indole Weit 120g(0. 376 mol) 4 '-benzoxy -2-bromophenylacetone and 97. 5g(0. 41 mol) 4-benzoxyaniline hydrochloride is placed in a 2 L three-neck bottle, add 720 mL DMF and 120 mL triethylamine, raise the temperature to 100 ℃, stir for 3 h,TLC monitoring compound 2 has been completely converted into intermediate IM. The reaction solution was cooled to 60 ℃, 97. 5g(0. 41 mol) compound 3 was added, heated to 120 ℃ and stirred for 6 h,TLC monitored the reaction completely. Cool the reaction solution to room temperature, add 3. 5 L ethyl acetate and 1 L dilute hydrochloric acid (1 mol · L-1 ), extract and separate the organic layer, sequentially use saturated sodium bicarbonate solution (500 mL × 2) and saturated salt water (500 mL × 2)) Wash, dry anhydrous sodium sulfate, filter and concentrate to obtain brown solid, add ethyl acetate and ethanol to recrystallize, filter, and wash the filter cake with anhydrous ethanol (300 mL × 2), 128. 53 g white solid (4) was dried with a yield of 81. 50%. The purity detected by HPLC was 99. 62%,mp 152~154 ℃. |
preparation method | using 4-nitrophenol, 1-(4-hydroxyphenyl)-1-acetone as the starting material, after hydroxyl protection, reduction, bromination, 5-benzyloxy-2-(4-benzyloxyphenyl)-3-methyl-1H-indole was synthesized Bischler-MCihlau indole synthesis and other reactions. |