Tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate

HCID 16217947

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 496786-98-2
표준 SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1
InChIKey: JWUBVPJWWYYRLJ-UHFFFAOYSA-N
분자식: C20H32BN3O4
평균 분자량: 389.3 g/mol
단동위원소 질량: 389.2485869

개요

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이름 및 식별자

우선 이름: Tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate
영어명: 4-[5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDIN-2-YL]-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
분자식: C20H32BN3O4
분자량: 389.3

이름 및 동의어

496786-98-2tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester1-Boc-4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazineTert-Butyl 4-[5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Pyridin-2-Yl]Piperazine-1-CarboxylateMFCD040398756-(4-Boc-1-piperazinyl)pyridine-3-boronic acid pinacol estertert-butyl 4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate2-(4-TERT-BUTOXYCARBONYLPIPERAZIN-1-YL)PYRIDINE-5-BORONIC ACID, PINACOL ESTER2-(4-Boc-Piperazino)pyridine-5-boronic acid pinacol ester2-(4-BOC-PIPERAZIN-1-YL)PYRIDINE-5-BORONIC ACID PINACOL ESTERJWUBVPJWWYYRLJ-UHFFFAOYSA-N

이름 더 보기

tert-butyl 4-[5-(44-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOR6- -4-Boc-1-piperazine and) pyridine-3-borate6-(4-Boc-piperazin-1-yl)pyridine-3-boronic acid2-[4-(N-BOC)Piperazin-1-yl]pyridine-5-boronic acid2-(4-BOC-Piperazino)pyridine-5-boronic acid,pinacol ester6-(4-BOC-1-PIPERAZINO)PYRIDINE-3-BORONIC ACID PINACOL ESTER2-(4-Boc-1-piperazinyl)pyridine-5-boronic acid pinacol ester

BCP079922-(4-Boc-piperazine)pyridine-5-boronic acid pinacol esterSCHEMBL182911SCHEMBL30515664DTXSID805846762-(4-BOC-Piperazino)pyridine-5-boronic acid, pinacol esterCS-M2404EX-A3895

데이터베이스 식별자

CAS: 496786-98-2
PubChem CID: 16217947
DTXSID: DTXSID80584676

물성

구조 계산 물성

극성 표면적: 64.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 28
형식 전하: 0
복잡도: 554

물리화학적 성질

녹는점: 165 · 165-169 °C
끓는 점: 515.9 · 515.9±50.0 °C(Predicted)
밀도: 1.14 · 1.14±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 8.41 · 8.41±0.31(Predicted)
InChI: InChI=1S/C20H32BN3O4/c1-18(2,3)26-17(25)24-12-10-23(11-13-24)16-9-8-15(14-22-16)21-27-19(4,5)20(6,7)28-21/h8-9,14H,10-13H2,1-7H3
InChIKey: JWUBVPJWWYYRLJ-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCN(C2=NC=C(B3OC(C)(C)C(C)(C)O3)C=C2)CC1