(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine

HCID 688211CAS 118949-61-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)C)CO3)n2)=N1
InChIKey
CSGQGLBCAHGJDR-HUUCEWRRSA-N
분자식
C17H23N3O2
평균 분자량
301.4 g/mol
단동위원소 질량
301.17902698

이름 및 식별자

우선 이름
(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine
IUPAC
(4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
영어명
(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine
분자식
C17H23N3O2
분자량
301.38

이름 및 동의어

(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine2,6-Bis((4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl)pyridine2,6-Bis[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]pyridineRefChem:408277601-576-1118949-61-42,6-bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine(S,S)-i-Pr-pybox(S,S)-Ipr-pybox173829-03-3i-Pr-pybox, (S,S)-MFCD00191815
이름 더 보기
2,6-Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)2,6-Bis[(4S)-4-isopropyl-2-oxazolin-2-yl]pyridine(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine >(-)-2,6-Bis[(4S)-4-(i-propyl)-2-oxazolin-2-yl]pyridine2,6-Bis[(4S)-isopropyl-2-oxazolin-2-yl]pyridine,99%e.e.
2,6-Bis[(4S)-(-)-isopropyl-2-oxazolin-2-yl]pyridine(S,S)-i-Pr-pybox [MI](4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazolei-Pr-pybox, (S,S)-(-)-C1A0B1BVRW(S,S)-2,2'-(2,6-Pyridinediyl)bis(4-isopropyl-2-oxazoline)(S)-(I-PR)-PYBOX2,6-bis((4s)-isopropyl-2-oxazolin-2-yl)pyridine

데이터베이스 식별자

CAS
118949-61-4
PubChem CID
688211
DTXSID
DTXSID80350833
UNII
C1A0B1BVRW
EC Number
601-576-1
Nikkaji
J699.276E

물성

구조 계산 물성

XLogP
3.3
극성 표면적
56.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
22

물리화학적 성질

녹는점
155 · 155-157 °C(lit.)
끓는 점
457.1 · 457.1±30.0 °C(Predicted)
밀도
1.23 · 1.23±0.1 g/cm3(Predicted)
저장 조건
2 · Inert atmosphere,2-8°C
산도 계수 (pKa)
3.78 · 3.78±0.70(Predicted)
물리적 상태
수정 같은

화학적 성질

White powder or crystal or chunks

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

안전 데이터

wgk
3
HS 번호
29309090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야

용도Used as a ligand to prepare novel ruthenium-pyridine-carboxylate complexes as new catalytic systems for alkene epoxidation.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西科贝莱药物研发有限公司13119135307 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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