5-BENZYLOXYINDOLE-3-GLYOXYLICACID에틸에스테르

ethyl 2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetate

HCID 253116

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 75238-44-7
표준 SMILES: CCOC(=O)C(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIKey: GEOTYZHKCQCORI-UHFFFAOYSA-N
분자식: C19H17NO4
평균 분자량: 323.3 g/mol
단동위원소 질량: 323.11575802

이름 및 식별자

우선 이름: ethyl 2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetate
IUPAC: ethyl 2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetate
현지명: 5-BENZYLOXYINDOLE-3-GLYOXYLICACID에틸에스테르
영어명: 5-Benzyloxyindole-3-glyoxylic acid ethyl ester
분자식: C19H17NO4
분자량: 323.34

이름 및 동의어

75238-44-7ethyl 2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetate5-benzyloxyindole-3-glyoxylic acid ethyl esterEthyl 2-[5-(Benzyloxy)-3-indolyl]-2-oxoacetateEthyl5-benzyloxyindole-3-glyoxylateMFCD000227232-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid ethyl esterEthyl 5-benzyloxyindole-3-glyoxylateNSC75566NCIOpen2_008431SCHEMBL11620503DTXSID70291443

이름 더 보기

5-BENZYLOXYINDOLE-3-GLYOXYLICACID에틸에스테르5-BzlO-IGA-OEtethyl 2-(5-(benzyloxy)-1H-indol-3-yl)-2-oxoacetateα-Oxo-5-(phenylmethoxy)-1H-indole-3-acetic Acid Ethyl Ester1H-Indole-3-acetic acid, α-oxo-5-(phenylmethoxy)-, ethyl esterα-?Oxo-?5-?(phenylmethoxy)?-?1H-?indole-?3-?acetic Acid Ethyl Ester

GEOTYZHKCQCORI-UHFFFAOYSA-NAC6751ethyl 5-benzyloxy-3-indoleglyoxalateNSC-75566FB172019SY058567DB-055947B-2052

데이터베이스 식별자

CAS: 75238-44-7
PubChem CID: 253116
DTXSID: DTXSID70291443

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 68.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 24
형식 전하: 0
복잡도: 447

물리화학적 성질

저장 조건: Room Temperature
용해도: 메탄올, THF 에 용해됨
물리적 상태: 가루
색상: 노란색

화학 및 산업

응용 분야

용도α-Oxo-5-(phenylmethoxy)-1H-indole-3-acetic Acid Ethyl Ester is an intermediate in synthesizing 5-Hydroxy Tryptophol-d4 β-D-Glucuronide (H976012), a labelled metabolite of 5-Hydroxytryptamine (H974990).