기본 정보
- CAS
872054-59-6- 표준 SMILES
COc1cccc(B2OCCN(c3ccccc3)CCO2)n1- InChIKey
DBLBCHOTUMUCCT-UHFFFAOYSA-N- 분자식
- C16H19BN2O3
- 평균 분자량
- 298.1 g/mol
- 단동위원소 질량
- 298.1488726
이름 및 식별자
- 우선 이름
- 2-(6-Methoxypyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane
- IUPAC
- 2-(6-methoxy-2-pyridinyl)-6-phenyl-1,3,6,2-dioxazaborocane
- 현지명
- 6-메톡시피리딘-2-보론산N-페닐디에탄올아민에스테르
- 영어명
- 6-Methoxypyridine-2-boronic acid N-phenyldiethanolamine ester
- 분자식
- C16H19BN2O3
- 분자량
- 298.15
이름 및 동의어
872054-59-62-(6-methoxypyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane6-Methoxypyridine-2-boronic acid N-phenyldiethanolamine ester1133971-47-74H-1,3,6,2-Dioxazaborocine, tetrahydro-2-(6-methoxy-2-pyridinyl)-6-phenyl-6-Methoxypyridine-2-boronic acid N-phenyldiethanolamine ester, 6-Methoxy-2-pyridineboronic acid-N-phenyldiethanolamine ester, 872054-59-6, SureCN1526486, 649155_ALDRICH, ACN-S001309, AKOS015851994SCHEMBL1526486DTXSID90584607DBLBCHOTUMUCCT-UHFFFAOYSA-NAKOS0158519946-메톡시피리딘-2-보론산N-페닐디에탄올아민에스테르2-{1-oxa-4-azaspiro[4.5]deca-6,8-dien-4-yl}ethan-1-ol
이름 더 보기
6-Methyl-2-pyridineboronic acid N-phenyldiethanolamine ester, 6-Methyl-2-pyridineboronic acid[2,2-(phenylimino)diethanol]ester
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- 극성 표면적
- 43.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 319
물리화학적 성질
- 녹는점
- 210 °C · 210 °C (dec.)(lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesFlam. Sol. 1 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3175 4.1/PG 2
- risk_code
- 36/37/38-67-41-37/38
- hazard_code
- Xi
- safety_code
- 26-36-39
화학 및 산업
응용 분야
용도Reactant for:• ;Preparation of alkylated sulfonamides via alkylation with alcohols catalyzed by Ag/Mo hybrid1• ;Preparation of 7-disubstituted oxyindoles as EP3 receptor antagonists2• ;Preparation of N-substituted sulfonamides via ferrous chloride-catalyzed N-alkylation with benzylic alcohols3• ;Preparation of (alkyl)hydroxybenzimidazoles, via a O- to N-acyl transfer reaction, as intermediates for EP3 receptor antagonists4• ;Preparation of N-arylsulfonyl β-[(aryloxy)indolyl]acrylamides as potent and selective EP3 receptor antagonists5
공급사1 곳
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
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