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2-Метилиндол
- английское имя2-Methylindole
- CAS №95-20-5
- CBNumberCB1711727
- ФормулаC9H9N
- мольный вес131.17
- EINECS202-398-3
- номер MDLMFCD00005616
- файл Mol95-20-5.mol
химическое свойство
Температура плавления | 57-59 °C (lit.) |
Температура кипения | 273 °C (lit.) |
плотность | 1,07 g/cm3 |
показатель преломления | 1.6070 (estimate) |
Fp | 141 °C |
температура хранения | Keep in dark place,Inert atmosphere,Room temperature |
растворимость | Chloroform (Sparingly), Methanol (Slightly) |
пка | 17.57±0.30(Predicted) |
форма | Crystals, Flakes, or Crystalline Powder |
цвет | Yellow to reddish-purple or brown |
Запах | at 0.10 % in dipropylene glycol. animal indole fresher than skatole with no fecal odor |
Odor Type | animal |
Растворимость в воде | Insoluble in water. |
Чувствительный | Light Sensitive |
БРН | 109781 |
ИнЧИКей | BHNHHSOHWZKFOX-UHFFFAOYSA-N |
LogP | 2.530 |
Справочник по базе данных CAS | 95-20-5(CAS DataBase Reference) |
Рейтинг продуктов питания EWG | 1 |
FDA UNII | I7CN58827I |
Справочник по химии NIST | 1H-Indole, 2-methyl-(95-20-5) |
Система регистрации веществ EPA | 1H-Indole, 2-methyl- (95-20-5) |
больше
Коды опасности | Xn,Xi | |||||||||
Заявления о рисках | 20/21/22-41 | |||||||||
Заявления о безопасности | 36/37-24/25-39-26 | |||||||||
РИДАДР | 3335 | |||||||||
WGK Германия | 3 | |||||||||
RTECS | NM0345000 | |||||||||
F | 8-10-13-23 | |||||||||
TSCA | Yes | |||||||||
кода HS | 29339990 | |||||||||
NFPA 704: |
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рисовальное письмо(GHS)
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рисовальное письмо(GHS)
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сигнальный язык
предупреждение
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вредная бумага
H302:Вредно при проглатывании.
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оператор предупредительных мер
P264:После работы тщательно вымыть кожу.
P270:При использовании продукции не курить, не пить, не принимать пищу.
P301+P312:ПРИ ПРОГЛАТЫВАНИИ: Обратиться за медицинской помощью при плохом самочувствии.
P501:Удалить содержимое/ контейнер на утвержденных станциях утилизации отходов.
2-Метилиндол химические свойства, назначение, производство
Химические свойства
Colorless needle or yellow to reddish-purple or brown crystals, flakes. Has an animal type odor.Soluble in ethanol and ether, insoluble in water.Использование
2-Methylindole is an intermediate in the synthesis of indole derivative with potential antifungal activities. It can be used as a raw material for the preparation of deacetylase (HDAC) inhibitor panobinostat.Подготовка
2-Methylindole was synthesized from 2-Acetamidotoluene by the following procedure. 2-Acetamidotoluene was added to the mixture of anhydrous ether and sodium amide, heated to 240-260°C under the protection of nitrogen flow, kept for 10min, a large amount of gas was generated in the reaction, and the reaction ended when the gas stopped escaping, and cooled. Ethanol and warm water were added and heated to decompose the sodium derivative of 2-Methylindole and excess sodium amide. After cooling, it was extracted with ether. The extract was concentrated and then distilled, and the fractions at 119-126°C (0.4-0.53kPa) were collected to obtain 2-Methylindole with a yield of 80%-83%. The product can be purified by methanol recrystallization.Определение
ChEBI: 2-Methylindole is a methylindole that is 1H-indole substituted by a methyl group at position 2. It derives from a hydride of a 1H-indole.прикладной
2-Methylindole is used as a reactant Reactant for:Regioselective synthesis of oxopyrrolidine analogs via iodine-catalyzed Markovnikov addition reaction
Friedel-Crafts alkylation reactions
Preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators
Preparation of plant-growth inhibitors
Michael addition reactions
Synthesis of cyclooxygenase-1 (COX-1)/cyclooxygenase-2 (COX-2) inhibitors
Методы очистки
Crystallise it from *benzene. It has also been purified by zone melting. The picrate has m 139o (from Et2O or Et2O/MeOH). [Cohen et al. J Am Chem Soc 82 2184 1960, Beilstein 20 III/IV 3202, 20/7 V 59.]2-Метилиндол запасные части и сырье
2-Метилиндол поставщик
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