Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

HCID 2773500

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 171364-80-0
표준 SMILES: COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: REIZEQZILPXYKS-UHFFFAOYSA-N
분자식: C14H19BO4
평균 분자량: 262.11 g/mol
단동위원소 질량: 262.1376392

이름 및 식별자

우선 이름: Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
IUPAC: methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
영어명: Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
분자식: C14H19BO4
분자량: 262.11

이름 및 동의어

171364-80-0Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoateDTXSID10378500RefChem:355384DTXCID603295274-Methoxycarbonylphenylboronic acid pinacol ester17136-80-04-Methoxycarbonylphenylboronic acid, pinacol esterMFCD021794384-(methoxycarbonyl)phenylboronic acid pinacol esterMethyl4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate4-(methoxycarbonyl)benzeneboronic acid pinacol ester

이름 더 보기

4-methyloxycarbonylbenzeneboronic acidolester4-METHOXYCARBONYLPHENYLBORONIC ACID PINACOLATE4-(Methoxycarbonyl)benzeneboronic acid pinacolMethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-24-Methoxycarbonylphenylboronic acid pinacol ester 97%4-(Methoxycarbonyl)benzeneboronic acid pinacol ester, 97%

methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate4-Carbomethoxyphenylboronic acid pinacol esterREIZEQZILPXYKS-UHFFFAOYSA-N4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID METHYL ESTERSCHEMBL105161(4-(METHOXYCARBONYL)PHENYL)BORONIC ACID PINACOL ESTERmethyl4-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)benzoateSBB063906

데이터베이스 식별자

CAS: 171364-80-0
PubChem CID: 2773500
DTXSID: DTXSID10378500
EC Number: 640-877-2
Nikkaji: J845.354C

물성

구조 계산 물성

극성 표면적: 44.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 19
형식 전하: 0
복잡도: 329

물리화학적 성질

녹는점: 77 · 77-81 °C(lit.)
끓는 점: 355.6 · 355.6±25.0 °C(Predicted)
밀도: 1.08 · 1.08±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 결정성 분말
색상: 하얀색
InChI: InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-8-6-10(7-9-11)12(16)17-5/h6-9H,1-5H3
InChIKey: REIZEQZILPXYKS-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1

안전 및 규제

안전 데이터

wgk: 3
tsca: No
HS 번호: 29310099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate was used to prepare 2-aryl-4,4,5,5,-tetramethyl-1,3,2-dioxaborolanes via palladium-catalyzed coupling reactions.