1-[2-(oxan-2-yloxy)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

HCID 59341819

기본 정보

CAS
956907-34-9
표준 SMILES
CC1(C)OB(c2cnn(CCOC3CCCCO3)c2)OC1(C)C
InChIKey
YWRBLSYOLXMZGA-UHFFFAOYSA-N
분자식
C16H27BN2O4
평균 분자량
322.2 g/mol
단동위원소 질량
322.20638774

이름 및 식별자

우선 이름
1-[2-(oxan-2-yloxy)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC
1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
영어명
1-{2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl}-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
분자식
C16H27BN2O4
분자량
322.21

이름 및 동의어

956907-34-91-[2-(oxan-2-yloxy)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleMFCD16294418(1-(2-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)ETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole1-(2-(tetrahydro-2H-pyran-2-yloxy)ethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole1-[2-(tetrahydropyran-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole1-[2-(tetrahydro-2H-pyran-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-{2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl}-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleSCHEMBL253078
이름 더 보기
1-{2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl1-[2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl]pyrazole-4-boronic Acid Pinacol Ester1-{2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl}-1H-pyrazole-4-boronic acid, pinacol ester1-[2-(oxan-2-yloxy)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole - [X26913]1-[2-(Tetrahydropyran-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyraztetrahydro-2H-pyran-2-yl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethyl ether
DTXSID20731586YWRBLSYOLXMZGA-UHFFFAOYSA-NAKOS025293810SB12215AS-52527SY110875DB-328362CS-0052679

데이터베이스 식별자

CAS
956907-34-9
PubChem CID
59341819
DTXSID
DTXSID20731586

물성

구조 계산 물성

극성 표면적
54.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
5
무거운 원자 수
23

물리화학적 성질

끓는 점
455.1 · 455.1±45.0 °C(Predicted)
밀도
1.15 · 1.15±0.1 g/cm3(Predicted)
저장 조건
0 · Store at 0-8 °C
산도 계수 (pKa)
1.82 · 1.82±0.10(Predicted)

안전 및 규제

안전 데이터

HS 번호
2933199090

화학 및 산업

공급사29 곳

毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]

관련 반응

96건

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