기본 정보
- CAS
151490-40-3- 표준 SMILES
COC(=O)C(=O)c1cn(C)c2ccccc12- InChIKey
SBHIWUQNUXJUMN-UHFFFAOYSA-N- 분자식
- C12H11NO3
- 평균 분자량
- 217.22 g/mol
- 단동위원소 질량
- 217.07389321
개요
See also: Methyl (1-methylindolyl-3)-glyoxylate (annotation moved to).
이름 및 식별자
- 우선 이름
- 2-(1-Methyl-1H-indol-3-YL)-2-oxoacetic acid methyl ester
- IUPAC
- methyl 2-(1-methylindol-3-yl)-2-oxoacetate
- 현지명
- 2-(1-메틸-1H-인돌-3-일)-2-옥소아세트산메틸에스테르
- 영어명
- 2-(1-Methyl-1H-indol-3-yl)-2-oxoacetic acid methyl ester
- 분자식
- C12H11NO3
- 분자량
- 217.22
이름 및 동의어
151490-40-32-(1-METHYL-1H-INDOL-3-YL)-2-OXOACETIC ACID METHYL ESTERmethyl 2-(1-methyl-1H-indol-3-yl)-2-oxoacetatemethyl 2-(1-methylindol-3-yl)-2-oxoacetatemethyl (1-methyl-1H-indol-3-yl)(oxo)acetateMethyl (1-methylindolyl)-3-glyoxylateSCHEMBL990668DTXSID30403449SBHIWUQNUXJUMN-UHFFFAOYSA-NBGA49040DB-043098Methyl (1-methylindolyl)-3-glyoxylate, 97%
이름 더 보기
2-(1-메틸-1H-인돌-3-일)-2-옥소아세트산메틸에스테르Zearalenol Impurity 3METHYL (1-METHYLINDOLYL-3)-GLYOXYLATE, 9Methyl (1-methylindolyl)-3-glyoxylate 97%METHYL 2-(1-METHYL-1H-INDOLE-3-YL)-2-OXOACETATE2-(1-methyl-3-indolyl)-2-oxoacetic acid methyl ester1H-Indole-3-acetic acid, 1-methyl-a-oxo-, methyl ester1H-Indole-3-acetic acid, 1-methyl-α-oxo-, methyl ester
(1-methyl-1H-indol-3-yl)-oxo-acetic acid methyl ester2-(1-methylindole-3-yl)-2-oxoacetic acid, methyl ester
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 48.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 303
물리화학적 성질
- 녹는점
- 96 · 96-100 °C(lit.)
- InChI
- 1S/C12H11NO3/c1-13-7-9(11(14)12(15)16-2)8-5-3-4-6-10(8)13/h3-7H,1-2H3
- InChIKey
- SBHIWUQNUXJUMN-UHFFFAOYSA-N
- SMILES
- COC(=O)C(=O)c1cn(C)c2ccccc12
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Reactant for synthesis of sotrastaurin analogs 1 Reactant for preparation of protein kinase C (PKC) inhibitors 2 Reactant for preparation of indolyl diols.
일반 설명Methyl (1-methylindolyl)-3-glyoxylate can be prepared from 1-methylindole.
공급사12 곳
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
山东优阜药业科技有限公司536-8266195 +8613953676784 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
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