(S,S)-2,6-ビス(4-イソプロピル-2-オキサゾリン-2-イル)ピリジン

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

HCID 688211
ノート反応
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基本情報

CAS
118949-61-4
標準SMILES
CC(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)C)CO3)n2)=N1
InChIKey
CSGQGLBCAHGJDR-HUUCEWRRSA-N
分子式
C17H23N3O2
平均分子量
301.4 g/mol
単同位体質量
301.17902698

名称と識別子

優先名称
(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
現地名
(S,S)-2,6-ビス(4-イソプロピル-2-オキサゾリン-2-イル)ピリジン
英語名
(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine
分子式
C17H23N3O2
分子量
301.38

名称と別名

(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
名称をさらに表示
(S,S)-2,6-ビス(4-イソプロピル-2-オキサゾリン-2-イル)ピリジン(S,S)-2,2'-(2,6-ピリジンジイル)ビス(4-イソプロピル-2-オキサゾリン)2,6-ビス[(4S)-(-)-イソプロピル-2-オキサゾリン-2-イル]ピリジン2,6-ビス[(4S)-イソプロピル-2-オキザゾリン-2-イル]ピリジン2,6-ビス[(4S)-(−)-イソプロピル-2-オキサゾリン-2-イル]ピリジン(-)-2,6-ビス[(4S)-4-(i-プロピル)-2-オキサゾリン-2-イル]ピリジン, 98+% (S)-(i-Pr)-pybox2,6-ビス[(4Ｓ)-イソプロピル-2-オキサゾリン-2-イル]ピリジン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

データベース識別子

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

物性

構造計算による物性

XLogP
3.3
極性表面積
56.1 Ų
水素結合供与体数
0
水素結合受容体数
5
回転可能結合数
4
重原子数
22

物理化学的性質

融点
155 · 155-157 °C(lit.)
比旋光度
-120 ° · -120° (c 1.0, CH2Cl2)
沸点
457.1 · 457.1±30.0 °C(Predicted)
比重(密度)
1.23 · 1.23±0.1 g/cm3(Predicted)
貯蔵温度
2 · Inert atmosphere,2-8°C
酸解離定数(Pka)
3.78 · 3.78±0.70(Predicted)

化学的性質

化学的特性White powder or crystal or chunks

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

wgk
3
hs_code
29309090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
ストレージクラス
11 - Combustible Solids

化学と産業

応用分野

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

上流・下流製品情報

サプライヤー100 社

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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