(S)-2-ETHOXY-3-(4-HYDROXY-PHENYL)-프로피온산에틸에스테르

Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate

HCID 9816147

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 222555-06-8
표준 SMILES: CCOC(=O)[C@H](Cc1ccc(O)cc1)OCC
InChIKey: NEJJCKFYYBEQRQ-LBPRGKRZSA-N
분자식: C13H18O4
평균 분자량: 238.28 g/mol
단동위원소 질량: 238.12050906

이름 및 식별자

우선 이름: Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate
IUPAC: ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate
현지명: (S)-2-ETHOXY-3-(4-HYDROXY-PHENYL)-프로피온산에틸에스테르
영어명: (S)-2-ETHOXY-3-(4-HYDROXY-PHENYL)-PROPIONIC ACID ETHYL ESTER
분자식: C13H18O4
분자량: 238.28

이름 및 동의어

222555-06-8ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoateDTXSID50431204RefChem:341721DTXCID60382036(S)-ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoate(S)-2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid ethyl esterMFCD06796580Ethyl (S)-2-Ethoxy-3-(4-hydroxyphenyl)propionate(2S)-2-ethoxy-3-(4-hydroxy-phenyl)-propionic acid ethyl esterethyl (S)-2-ethoxy-3-(4-hydroxyphenyl)propanoateBenzenepropanoic acid, alpha-ethoxy-4-hydroxy-, ethyl ester, (alphaS)-

이름 더 보기

(S)-2-ETHOXY-3-(4-HYDROXY-PHENYL)-프로피온산에틸에스테르(S)-Ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoate - [E92091]Benzenepropanoic acid, α-ethoxy-4-hydroxy-, ethyl ester, (αS)-Benzenepropanoic acid, .alpha.-ethoxy-4-hydroxy-, ethyl ester, (.alpha.S)-

(s)-2-ethoxy-3-(4-hydroxyphenyl)propionic acid ethyl ester5F93VWE3FJ(S)-Ethyl2-ethoxy-3-(4-hydroxyphenyl)propanoateSCHEMBL977513SCHEMBL3965096(S)-2-ethoxy-3-(4-hydroxyphenyl)propanoic acid ethyl esterAKOS016014937AS-37399

데이터베이스 식별자

CAS: 222555-06-8
PubChem CID: 9816147
DTXSID: DTXSID50431204
UNII: 5F93VWE3FJ
EC Number: 675-850-4
Nikkaji: J2.197.264I

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 17
형식 전하: 0
복잡도: 221

물리화학적 성질

끓는 점: 367.3 · 367.3±27.0 °C(Predicted)
밀도: 1.116 · 1.116±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 9.75 · 9.75±0.15(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

응용 분야 · 1건

용도Ethyl (S)-2-Ethoxy-3-(4-hydroxyphenyl)propionate, is an intermediate in the synthesis of glitazars, novel Thiophene substituted oxazole containing α-ethoxy phenylpropanoic acid derivatives, as very potent PPARα/γ dual agonist demonstrating potent antidiabetic and lipid lowering activity at a very low dose.