CAS 908303-26-4 (R)-alpha,alpha-Bis(3,5-bis(trifluoromethyl)phenyl)-2-pyrrolidinemethanol trimethylsilyl ether (HCID 16218311)

名称と識別子

優先名称: (R)-alpha,alpha-Bis(3,5-bis(trifluoromethyl)phenyl)-2-pyrrolidinemethanol trimethylsilyl ether
IUPAC: [bis[3,5-bis(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane
現地名: 2β-[ビス[3,5-ビス(トリフルオロメチル)フェニル](トリメチルシロキシ)メチル]ピロリジン
英語名: Pyrrolidine, 2-[bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl]-, (2R)-
分子式: C24H23F12NOSi
分子量: 597.51

名称と別名

(R)-alpha,alpha-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol trimethylsilyl ether(R)-alpha,alpha-Bis(3,5-bis(trifluoromethyl)phenyl)-2-pyrrolidinemethanol trimethylsilyl etherRefChem:407369625-410-2908303-26-4(R)-2-(Bis(3,5-bis(trifluoromethyl)phenyl)((trimethylsilyl)oxy)methyl)pyrrolidineC24H23F12NOSiMFCD09750448[bis[3,5-bis(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane(R)-A,a-bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol trimethylsilyl ether(2R)-2-[Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl]-pyrrolidine(R)-2-(bis(3,5-bis(trifluoromethyl)phenyl)(trimethylsilyloxy)methyl)pyrrolidine

名称をさらに表示

(2R)-2-{ビス[3,5-ビス(トリフルオロメチル)フェニル][(トリメチルシリル)オキシ]メチル}ピロリジン(2R)-2-[ビス[3,5-ビス(トリフルオロメチル)フェニル](トリメチルシリルオキシ)メチル]ピロリジン(R)-2-(ジ(3,5-ジ(トリフルオロメチル)フェニル)(トリメチルシリルオキシ)メチル)ピロリジン(2R)-2-[ビス[3,5-ジ(トリフルオロメチル)フェニル](トリメチルシロキシ)メチル]ピロリジン(2R)-2-(3,3′,5,5′-テトラ(トリフルオロメチル)-α-(トリメチルシロキシ)ベンズヒドリル)ピロリジン2β-[ビス[3,5-ビス(トリフルオロメチル)フェニル](トリメチルシロキシ)メチル]ピロリジン2β-[α-(トリメチルシリルオキシ)-3,3′,5,5′-テトラキス(トリフルオロメチル)ベンズヒドリル]ピロリジン2β-(3,3′,5,5′-テトラ(トリフルオロメチル)-α-(トリメチルシロキシ)ベンズヒドリル)ピロリジン(2R)-2β-[α-(トリメチルシロキシ)-3,3′,5,5′-テトラキス(トリフルオロメチル)ベンズヒドリル]ピロリジン(2R)-2β-[α-(トリメチルシリルオキシ)-3,3′,5,5′-テトラキス(トリフルオロメチル)ベンズヒドリル]ピロリジン[[(2R)-ピロリジン-2-イル]ビス[3,5-ビス(トリフルオロメチル)フェニル]メトキシ]トリメチルシラン(2R)-2-[ビス[3,5-ビス(トリフルオロメチル)フェニル](トリメチルシロキシ)メチル]ピロリジン(2R)-2-{bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)...(R)-α,α-Bis[3,5-bis(trifluoromethyl)phenyl]prolinol trimethylsilyl etherR-2-[bis[3,5-bis(trifluoroMethyl)phenyl][(triMethyl silyl)oxy]Methyl]-Pyrrolidine(2R)-2-[Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl]pyrrolidine(R)-2-[(Bis(3,5-bis(trifluoroMethyl)phenyl)]triMethylsilanyloxy)Methyl]pyrrolidine(R)-α,α-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol trimethylsilyl etherPyrrolidine, 2-[bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl]-, (2R)-(R)-α,α-Bis[3,5-bis(trifluoromethyl)phenyl]prolinol trimethylsilyl ether, CAS 908303-26-4(2R)-2-[Bis[3,5-bis(trifluoromethyl)phenyl]- [(trimethylsilyl)oxy]methyl]pyrrolidine,99%e.e.

(2R)-2-{Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl}pyrrolidine(R)-2-[Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl]pyrrolidineMOHRGTBNEJKFMB-LJQANCHMSA-NSCHEMBL3006875DTXSID20584872AKOS016843318AS-42928SY256268

データベース識別子

CAS: 908303-26-4
PubChem CID: 16218311
DTXSID: DTXSID20584872
EC Number: 625-410-2
Nikkaji: J2.863.443I

物性

構造計算による物性

極性表面積: 21.3 Å²
水素結合供与体数: 1
水素結合受容体数: 14
回転可能結合数: 5
重原子数: 39
形式電荷: 0
複雑度: 737

物理化学的性質

融点: 46 · 46-55°C
沸点: 382.4 · 382.4±37.0 °C(Predicted)
比重(密度): 1.319 · 1.319±0.06 g/cm3(Predicted)
闪点: 110 ℃ · >110℃
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: クロロホルム（微量）、酢酸エチル（微量）
外見: 個体
酸解離定数(Pka): 9.34 · 9.34±0.10(Predicted)
色: ホワイトからオフホワイト
InChIKey: MOHRGTBNEJKFMB-LJQANCHMSA-N
SMILES: C[Si](C)(C)OC([C@H]1CCCN1)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F

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 (100%): 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 39 reports by companies from 2 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 (100%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用Catalyst involved in:Cyclocondensation of enals with methylenepyrrolidinesOrganocatalytic additions of β-ketosulfoxides to conjugated aldehydesOrganocatalytic aza-Michael reactionsStereoselective propargylic alkylation of propargylic esters with aldehydesEpoxidation or aziridination of α,β-unsaturated aldehydes and Feist-Benary reactions of 1,3-dicarbonyls