CAS 78269-85-9 2,5-Dioxopyrrolidin-1-yl 2-(trimethylsilyl)ethyl carbonate (HCID 5018386)

基本情報

CAS: 78269-85-9
標準SMILES: C[Si](C)(C)CCOC(=O)ON1C(=O)CCC1=O
InChIKey: FLDNDAMSCINJDX-UHFFFAOYSA-N
分子式: C10H17NO5Si
平均分子量: 259.33 g/mol
単同位体質量: 259.08759918

名称と識別子

優先名称: 2,5-Dioxopyrrolidin-1-yl 2-(trimethylsilyl)ethyl carbonate
IUPAC: (2,5-dioxopyrrolidin-1-yl) 2-trimethylsilylethyl carbonate
現地名: N-[2-(トリメチルシリル)エトキシカルボニルオキシ]スクシンイミド
英語名: 1-(2-(Trimethylsilyl)ethoxycarbonyloxy)&
分子式: C10H17NO5Si
分子量: 259.33

名称と別名

2,5-dioxopyrrolidin-1-yl 2-(trimethylsilyl)ethyl carbonateRefChem:444650628-606-678269-85-92,5-Dioxopyrrolidin-1-yl (2-(trimethylsilyl)ethyl) carbonateN-[2-(Trimethylsilyl)ethoxycarbonyloxy]succinimideTeoc-OSu1-[2-(Trimethylsilyl)ethoxycarbonyloxy]pyrrolidin-2,5-dione(2,5-dioxopyrrolidin-1-yl) 2-trimethylsilylethyl CarbonateMFCD02683467C10H17NO5Si2,5-Dioxopyrrolidin-1-yl (2-(trimethylsilyl)-ethyl) carbonate

名称をさらに表示

N-[2-(トリメチルシリル)エトキシカルボニルオキシ]スクシンイミド1-[2-(トリメチルシリル)エトキシカルボニルオキシ]ピロリジン-2,5-ジオン1-(2-(Trimethylsilyl)ethoxycarbonyloxy)&1-(2-(TRIMETHYLSILYL)ETHOXYCARBONYLOXY)&(TriMethylsilyl)ethoxycarbonyloxy]succiniMide1-[[[2-(Trimethylsilyl)ethoxy]carbonyl]oxy]-2(triMethylsilyl)ethoxy]carbonyl}oxy)pyrrolidine-2,5-dioneN-[2-(Trimethylsilyl)ethoxycarbonyloxy]succinimide≥ 98%(N)TEOC-OSU N-[2-(trimethylsilyl)ethoxycarbonyloxy]succinimideN-[2-(trimethylsilyl)ethoxycarbonyloxy]succinimide(Teoc-Osu)

1-({[2-(trimethylsilyl)ethoxy]carbonyl}oxy)pyrrolidine-2,5-dioneTeocOSu2,5-Pyrrolidinedione, 1-[[[2-(trimethylsilyl)ethoxy]carbonyl]oxy]-SCHEMBL2081842,5-Dioxopyrrolidin-1-yl(2-(trimethylsilyl)ethyl)carbonateDTXSID10407561FLDNDAMSCINJDX-UHFFFAOYSA-NAKOS015840149

物性

構造計算による物性

極性表面積: 72.9 Å²
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: 6
重原子数: 17
形式電荷: 0
複雑度: 320

物理化学的性質

融点: 83 · 83-88 °C(lit.)
沸点: 308.6 · 308.6±44.0 °C(Predicted)
比重(密度): 1.17 · 1.17±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: soluble in Methanol
外見: powder to crystal
色: White to Almost white
InChI: InChI=1S/C10H17NO5Si/c1-17(2,3)7-6-15-10(14)16-11-8(12)4-5-9(11)13/h4-7H2,1-3H3
InChIKey: FLDNDAMSCINJDX-UHFFFAOYSA-N
SMILES: C(OCC[Si](C)(C)C)(=O)ON1C(=O)CCC1=O

化学的性質

化学的特性White to off-white powder

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 (97.6%): 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 41 reports by companies from 4 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 (97.6%)

安全データ

wgk: 3
hs_code: 2931.90.9010
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
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

使用1-[2-(Trimethylsilyl)ethoxycarbonyloxy]pyrrolidin-2,5-dione (Teoc-OSu) may be used as an acylating reagent to produce Teoc-amino acid derivatives.

一般的な説明1-[2-(Trimethylsilyl)ethoxycarbonyloxy]pyrrolidin-2,5-dione (Teoc-OSu) is a silicon-based reagent that can be prepared from 2-trimethylsilylethyl carbonochloridite and N-hydroxysuccinimide.