6-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-one
기본 정보
- CAS
376584-30-4- 표준 SMILES
CC1(C)OB(c2ccc3c(c2)CCNC3=O)OC1(C)C- InChIKey
PNZDKWGVPHBMRZ-UHFFFAOYSA-N- 분자식
- C15H20BNO3
- 평균 분자량
- 273.14 g/mol
- 단동위원소 질량
- 273.1536237
이름 및 식별자
- 우선 이름
- 6-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-one
- IUPAC
- 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-isoquinolin-1-one
- 영어명
- 3,4-Dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-isoquinolinone
- 분자식
- C15H20BNO3
- 분자량
- 273.14
이름 및 동의어
6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-oneRefChem:539920877-685-5376584-30-46-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-1(2H)-one3,4-DIHYDRO-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1(2H)-ISOQUINOLINONEMFCD110446716-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-isoquinolin-1-one6-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4-dihydro-2H-isoquinolin-1-one3,4-Dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-1(2H)-one1-Oxo-1,2,3,4-tetrahydroisoquinoline-6-boronic acid, pinacol ester3,4-Dihydro-1(2H)-isoquinolinone-6-boronic acid pinacol ester
이름 더 보기
1-Oxo-1,2,3,4-tetrahydroisoquinoline-6-boronic acid, pinacol ester 95+%1(2H)-Isoquinolinone, 3,4-dihydro-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-3,4-Dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-1(2H)-one, 1-Oxo-1,2,3,4-tetrahydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-onePNZDKWGVPHBMRZ-UHFFFAOYSA-NSCHEMBL1636716SCHEMBL30720809DTXSID00620747BQA58430(1-OXO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)BORONIC ACID PINACOL ESTERAKOS024260453
데이터베이스 식별자
- CAS
376584-30-4- PubChem CID
- 21955677
- DTXSID
DTXSID00620747- EC Number
- 877-685-5
물성
구조 계산 물성
- 극성 표면적
- 47.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 394
물리화학적 성질
- 녹는점
- 212 · 212-213°C
- 끓는 점
- 494.6 · 494.6±45.0 °C(Predicted)
- 밀도
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 14.45 · 14.45±0.20(Predicted)
- 색상
- 흰색에서 밝은 노란색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
- HS 번호
- 2933499090
화학 및 산업
응용 분야
용도3,4-Dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-isoquinolinone is a useful synthetic compound.
관련 반응
8건
화합물 노트
불러오는 중…