기본 정보
- CAS
425640-13-7- 표준 SMILES
COC(=O)C(=O)c1c[nH]c2c(C)cccc12- InChIKey
MHKYKAZMQYFAMW-UHFFFAOYSA-N- 분자식
- C12H11NO3
- 평균 분자량
- 217.22 g/mol
- 단동위원소 질량
- 217.07389321
이름 및 식별자
- 우선 이름
- Methyl 7-methyl-alpha-oxo-1H-indole-3-acetate
- IUPAC
- methyl 2-(7-methyl-1H-indol-3-yl)-2-oxoacetate
- 영어명
- 1H-Indole-3-acetic acid, 7-Methyl-α-oxo-, Methyl ester
- 분자식
- C12H11NO3
- 분자량
- 217.22
이름 및 동의어
425640-13-7RefChem:356416Methyl 7-methyl-alpha-oxo-1H-indole-3-acetateMethyl 2-(7-Methyl-3-indolyl)-2-oxoacetateMFCD12546263methyl 2-(7-methyl-1H-indol-3-yl)-2-oxoacetateMethyl2-(7-Methyl-3-indolyl)-2-oxoacetate1H-Indole-3-acetic acid, 7-methyl-alpha-oxo-, methyl esterMethyl 7-Methyl-?-oxo-1H-indole-3-acetic Acid EsterSCHEMBL989756Methyl 2-(7-methyl-1H-indol-3-yl)-2-oxo-acetate(7-methyl-1H-indol-3-yl)oxoacetic acid methyl ester
이름 더 보기
7-Methyl-3-indoleglyoxylic acid methyl ester1H-Indole-3-acetic acid, 7-Methyl-α-oxo-, Methyl ester
1h-indole-3-acetic acid,7-methyl-a-oxo-,methyl esterMHKYKAZMQYFAMW-UHFFFAOYSA-NDTXSID901271007AC6126SY058656DB-327885Methyl (7-methyl-1H-indol-3-yl)(oxo)acetateMethyl 7-methyl-I+/--oxo-1H-indole-3-acetate
데이터베이스 식별자
- CAS
425640-13-7- PubChem CID
- 11241405
- DTXSID
DTXSID901271007
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 59.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 303
물리화학적 성질
- 끓는 점
- 388.5 · 388.5±22.0 °C(Predicted)
- 밀도
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.84 · 14.84±0.30(Predicted)
화학 및 산업
응용 분야
용도Methyl 7-Methyl-α-oxo-1H-indole-3-acetic Acid Ester is an intermediate used in the synthesis of 7-Methyltryptophol (M331800), which is a metabolite of Tryptophan (T947200), an essential amino acid.Also, it is used in the synthesis of 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-(indol-3-yl)-maleimides as potent, selective GSK-3β inhibitors and neuroprotective agents.
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