(1-(1-Methylpiperidin-4-yl)-1H-pyrazol-4-yl)boronic acid pinacol ester
기본 정보
- CAS
1323919-64-7- 표준 SMILES
CN1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1- InChIKey
PRLTVODJPCFDHW-UHFFFAOYSA-N- 분자식
- C15H26BN3O2
- 평균 분자량
- 291.2 g/mol
- 단동위원소 질량
- 291.2118072
이름 및 식별자
- 우선 이름
- (1-(1-Methylpiperidin-4-yl)-1H-pyrazol-4-yl)boronic acid pinacol ester
- IUPAC
- 1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine
- 영어명
- 1-methyl-4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine
- 분자식
- C15H26BN3O2
- 분자량
- 291.2
이름 및 동의어
1323919-64-7(1-(1-Methylpiperidin-4-yl)-1H-pyrazol-4-yl)boronic acid pinacol esterRefChem:391554894-423-51-methyl-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)piperidine1-methyl-4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidineMFCD213377671-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidinePiperidine, 1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-1-(1-Methyl-4-piperidyl)pyrazole-4-boronic Acid Pinacol Ester1-Methyl-4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrazol-1-yl]piperidine1-methyl-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)
이름 더 보기
1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1H-pyrazol-1-yl]-piperidine1-methyl-4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine - [M18647]
1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidineSCHEMBL657486AKOS025289668SB122031-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-piperidineAS-51544DA-12295SY045518
데이터베이스 식별자
- CAS
1323919-64-7- PubChem CID
- 59231689
- EC Number
- 894-423-5
물성
구조 계산 물성
- 극성 표면적
- 39.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 367
물리화학적 성질
- 끓는 점
- 409.1 · 409.1±35.0 °C(Predicted)
- 밀도
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 8.62 · 8.62±0.10(Predicted)
- InChI
- InChI=1S/C15H26BN3O2/c1-14(2)15(3,4)21-16(20-14)12-10-17-19(11-12)13-6-8-18(5)9-7-13/h10-11,13H,6-9H2,1-5H3
- InChIKey
- PRLTVODJPCFDHW-UHFFFAOYSA-N
- SMILES
- N1(C)CCC(N2C=C(B3OC(C)(C)C(C)(C)O3)C=N2)CC1
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.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
응용 분야
용도1-Methyl-4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrazol-1-yl]piperidine is used in the synthesis of a series of hydroxybenzoxazole derivatives as c-Met kinase inhibitors.
관련 반응
10건
화합물 노트
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