4-(에톡시카르보닐메틸)페닐보론산,피나코

Ethyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate

HCID 46737998

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 859169-20-3
표준 SMILES: CCOC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: RPRBNRDIESZHFL-UHFFFAOYSA-N
분자식: C16H23BO4
평균 분자량: 290.2 g/mol
단동위원소 질량: 290.16893962

개요

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이름 및 식별자

우선 이름: Ethyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate
IUPAC: ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
현지명: 4-(에톡시카르보닐메틸)페닐보론산,피나코
영어명: 4-(ethoxycarbonylmethyl)phenylboronic acid, pinaco
분자식: C16H23BO4
분자량: 290.16

이름 및 동의어

DTXSID10674155Ethyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetateethyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetateRefChem:1084678DTXCID20624904859169-20-3ETHYL 2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETATE(4-Ethoxycarbonylmethylphenyl)boronic acid pinacol esterMFCD08704684ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate4-(ETHOXYCARBONYLMETHYL)PHENYLBORONIC ACID, PINACOL ESTER4-(ethoxycarbonylmethyl)phenylboronic acid, pinaco

이름 더 보기

4-(에톡시카르보닐메틸)페닐보론산,피나코Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)(4-(2-ETHOXY-2-OXOETHYL)PHENYL)BORONIC ACID PINACOL ESTER4-(4-(Ethoxycarbonyl)phenyl)benzeneboronic acid neopentyl glycol ester2-[(4-Ethoxycarbonylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneEthyl 2-(4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-yl)Phenyl)Acetate,>98%4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetic acid ethyl ester2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic Acid Ethyl Ester

4-Ethoxycarbonylmethylphenylboronic acid, pinacol esterCS-M17274-(2-Ethoxy-2-oxoethyl)phenylboronic Acid Pinacol Esterethyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate4-(Ethoxycarbonylmethyl)phenylboronic acid pinacol ester, AldrichCPR(4-Ethoxycarbonylmethylphenyl)boronic acid, pinacol ester4-(ethoxycarbonylmethyl)phenylboronic acid pinacol esterSCHEMBL10228

데이터베이스 식별자

CAS: 859169-20-3
PubChem CID: 46737998
DTXSID: DTXSID10674155

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: 21
형식 전하: 0
복잡도: 356

물리화학적 성질

끓는 점: 377.7 · 377.7±25.0 °C(Predicted)
밀도: 1.06 · 1.06±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
InChI: 1S/C16H23BO4/c1-6-19-14(18)11-12-7-9-13(10-8-12)17-20-15(2,3)16(4,5)21-17/h7-10H,6,11H2,1-5H3
InChIKey: RPRBNRDIESZHFL-UHFFFAOYSA-N
SMILES: O=C(CC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)OCC