1,2,3,6-테트라히드로-4-(4,4,5,5-테트라메틸-1,3,2-디옥사보롤란-2-일)피리딘염산염
1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester hydrochloride
기본 정보
- CAS
1121057-75-7- 표준 SMILES
CC1(C)OB(C2=CCNCC2)OC1(C)C.Cl- InChIKey
WNMYCAJTXUCHBQ-UHFFFAOYSA-N- 분자식
- C11H21BClNO2
- 평균 분자량
- 245.55 g/mol
- 단동위원소 질량
- 245.1353868
이름 및 식별자
- 우선 이름
- 1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester hydrochloride
- IUPAC
- 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride
- 현지명
- 1,2,3,6-테트라히드로-4-(4,4,5,5-테트라메틸-1,3,2-디옥사보롤란-2-일)피리딘염산염
- 영어명
- 1,2,3,6-Tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)pyridine hydrochloride
- 분자식
- C11H21BClNO2
- 분자량
- 245.55
이름 및 동의어
1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester hydrochlorideRefChem:410662878-854-61121057-75-74-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine hydrochlorideMFCD115060761,2,3,6-TETRAHYDROPYRIDINE-4-YL-BORONIC ACID PINACOL ESTER HYDROCHLORIDE1,2,3,6-Tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)pyridine hydrochloride4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride1,2,3,6-Tetrahydropyridine-4-boronic acid pinacol ester hydrochloride1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester, hydrochloride1,2,3,6-Tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine Hydrochloride
이름 더 보기
1,2,3,6-테트라히드로-4-(4,4,5,5-테트라메틸-1,3,2-디옥사보롤란-2-일)피리딘염산염"1,2,3,6-Tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-DIOXABOROLAN-2-YL)-1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORIDE1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester, HCl4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetr...1,2,3,6-Tetrahydropyridine-4-boronic acid pinacol ester hydrochl1,2,3,6-Tetrahydropyridine-4-yl-boronic acid picol ester hydrochloride1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacolester, hydrochloride.4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine hydrochloride
데이터베이스 식별자
- CAS
1121057-75-7- PubChem CID
- 49761084
- DTXSID
DTXSID50678314- EC Number
- 878-854-6
물성
구조 계산 물성
- 극성 표면적
- 30.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 270
물리화학적 성질
- 저장 조건
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 물리적 상태
- solid
- InChI
- 1S/C11H20BNO2.ClH/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;/h5,13H,6-8H2,1-4H3;1H
- InChIKey
- WNMYCAJTXUCHBQ-UHFFFAOYSA-N
- SMILES
- CC(O1)(C)C(C)(C)OB1C2=CCNCC2.Cl
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)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2933399990
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도1,2,3,6-Tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine is a useful synthetic intermediate. It was used in the synthesis of N-arylheterocycles as MCH antagonists. It can also be used as a reagent to prepare substituted imidazopyridine derivatives and analogs for use as antiviral agents.
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