2-메틸인돌린

2-메틸인돌린
2-메틸인돌린 구조식 이미지
카스 번호:
95-20-5
한글명:
2-메틸인돌린
동의어(한글):
2-메틸인돌린;메틸인돌린
상품명:
2-Methylindole
동의어(영문):
2-METHYL-1H-INDOLE;1H-INDOLE, 2-METHYL-;NSC 7514;AURORA 15496;METHYLKETOLE;a-Methylindol;-Methylindole;2-METHYLINDOLE;2-methyl-indol;METHYLINDOLE(2-)
CBNumber:
CB1711727
분자식:
C9H9N
포뮬러 무게:
131.17
MOL 파일:
95-20-5.mol
MSDS 파일:
SDS

2-메틸인돌린 속성

녹는점
57-59 °C (lit.)
끓는 점
273 °C (lit.)
밀도
1,07 g/cm3
굴절률
1.6070 (estimate)
인화점
141 °C
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
용해도
클로로포름(소량으로 용해), 메탄올(약간 용해됨)
산도 계수 (pKa)
17.57±0.30(Predicted)
물리적 상태
결정체, 플레이크 또는 결정성 분말
색상
노란색에서 붉은 보라색 또는 갈색
냄새
디프로필렌 글리콜 중 0.10%. 배설물 냄새가 없는 스카톨보다 더 신선한 동물성 인돌
?? ??
동물
수용성
물에 불용성.
감도
Light Sensitive
BRN
109781
InChIKey
BHNHHSOHWZKFOX-UHFFFAOYSA-N
LogP
2.530
CAS 데이터베이스
95-20-5(CAS DataBase Reference)
NIST
1H-Indole, 2-methyl-(95-20-5)
EPA
1H-Indole, 2-methyl- (95-20-5)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xn,Xi
위험 카페고리 넘버 20/21/22-41
안전지침서 36/37-24/25-39-26
유엔번호(UN No.) 3335
WGK 독일 3
RTECS 번호 NM0345000
F 고인화성물질 8-10-13-23
TSCA Yes
HS 번호 29339990
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H302 삼키면 유해함 급성 독성 물질 - 경구 구분 4 경고 GHS hazard pictograms P264, P270, P301+P312, P330, P501
예방조치문구:
P264 취급 후에는 손을 철저히 씻으시오.
P264 취급 후에는 손을 철저히 씻으시오.
P270 이 제품을 사용할 때에는 먹거나, 마시거나 흡연하지 마시오.
P301+P312 삼켜서 불편함을 느끼면 의료기관(의사)의 진찰을 받으시오.
P501 ...에 내용물 / 용기를 폐기 하시오.
NFPA 704
1
2 1

2-메틸인돌린 MSDS


2-Methylindole

2-메틸인돌린 C화학적 특성, 용도, 생산

화학적 성질

Colorless needle or yellow to reddish-purple or brown crystals, flakes. Has an animal type odor.Soluble in ethanol and ether, insoluble in water.

용도

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.

제조 방법

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.

정의

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.

주요 응용

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

Purification Methods

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-메틸인돌린 준비 용품 및 원자재

원자재

준비 용품


2-메틸인돌린 공급 업체

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