CAS 1257213-52-7 Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylate (HCID 53217182)

기본 정보

CAS: 1257213-52-7
표준 SMILES: CCOC(=O)C1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1
InChIKey: ZYSWTQGHMDIKPH-UHFFFAOYSA-N
분자식: C18H25BO4
평균 분자량: 316.2 g/mol
단동위원소 질량: 316.18458968

이름 및 식별자

우선 이름: Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylate
IUPAC: ethyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate
영어명: Ethyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate
분자식: C18H25BO4
분자량: 316.2

이름 및 동의어

1257213-52-7Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylateEthyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylateethyl 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylateMFCD18383419Cyclopropanecarboxylic acid, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, ethyl ester4-(1-Ethoxycarbonylcyclopropyl)phenylboronic acid, pinacol ester4-[1-(Ethoxycarbonyl)cyclopropyl]phenylboronic Acid Pinacol Esterethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropane-1-carboxylateEthyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanecarboxylateZYSWTQGHMDIKPH-UHFFFAOYSA-NSCHEMBL1514

이름 더 보기

EOS-60372Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)Ethyl 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate - [E15677]

DTXSID40682283AKOS015999424CS-W000622DS-17706SY096970DB-023589P12358F213318

물성

구조 계산 물성

극성 표면적: 44.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 23
형식 전하: 0
복잡도: 446

물리화학적 성질

끓는 점: 400.6 · 400.6±38.0 °C(Predicted)
밀도: 1.1 · 1.10±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C

안전 및 규제

안전 데이터

HS 번호: 2931900090

화학 및 산업

응용 분야

용도4-(1-Ethoxycarbonylcyclopropyl)phenylboronic acid, pinacol ester is a reagent used in the preparation of triazolone compounds as PPARα antagonists useful in the treatment of cancer and viral infections.