(トリメチルシリル)酢酸1,1-ジメチルエチル

1,1-Dimethylethyl trimethylsilylacetate

HCID 99527

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 41108-81-0
標準SMILES: CC(C)(C)OC(=O)C[Si](C)(C)C
InChIKey: HOHBQWITMXOSOW-UHFFFAOYSA-N
分子式: C9H20O2Si
平均分子量: 188.34 g/mol
単同位体質量: 188.12325641

名称と識別子

優先名称: 1,1-Dimethylethyl trimethylsilylacetate
IUPAC: tert-butyl 2-trimethylsilylacetate
現地名: (トリメチルシリル)酢酸1,1-ジメチルエチル
英語名: TERT-BUTYL TRIMETHYLSILYLACETATE
分子式: C9H20O2Si
分子量: 188.34

名称と別名

1,1-Dimethylethyl trimethylsilylacetateEINECS 255-222-2DTXSID00194054NSC 237636RefChem:410244DTXCID10116545255-222-241108-81-0tert-Butyl trimethylsilylacetatetert-butyl 2-trimethylsilylacetateTERT-BUTYL (TRIMETHYLSILYL)ACETATETERT-BUTYL 2-(TRIMETHYLSILYL)ACETATE

名称をさらに表示

(トリメチルシリル)酢酸1,1-ジメチルエチルtert-ブチル=トリメチルシリルアセタート(トリメチルシリル)酢酸TERT-ブチルtert-ブチル 2-(トリメチルシリル)アセタート(Trimethylsilyl)acetic acid 1,1-dimethylethyl esterAcetic acid, 2-(trimethylsilyl)-, 1,1-dimethylethyl ester

1,1-Dimethylethyl 2-(trimethylsilyl)acetate2-(Trimethylsilyl)acetic Acid 1,1-Dimethylethyl Ester; 1,1-Dimethylethyl (Trimethylsilyl)acetate; NSC 237636; tert-Butyl 2-(Trimethylsilyl)acetate; tert-Butyl alpha-(Trimethylsilyl)acetate92759_ALDRICH, tert-Butyl trimethylsilylacetate, 92759_FLUKA, MolPort-003-939-546, NSC237636, CID99527, EINECS 255-222-2, 1,1-Dimethylethyl trimethylsilylacetate, 41108-81-0NSC237636t-butyltrimethylsilylacetatet-butyl trimethylsilylacetateSCHEMBL9019859Acetic acid, (trimethylsilyl)-, 1,1-dimethylethyl ester

データベース識別子

CAS: 41108-81-0
PubChem CID: 99527
DTXSID: DTXSID00194054
EC Number: 255-222-2
Nikkaji: J267.305C

物性

構造計算による物性

極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 12
形式電荷: 0
複雑度: 162

物理化学的性質

沸点: 67 °C13 · 67 °C13 mm Hg(lit.)
比重(密度): 0.86 g/mL · 0.86 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.417
闪点: 42 °C · 42 °C
溶解性: Chloroform (Soluble), Methanol (Soluble)
外見: Oil
色: Colourless
BRN: 1930256 · 1930256
InChI: 1S/C9H20O2Si/c1-9(2,3)11-8(10)7-12(4,5)6/h7H2,1-6H3
InChIKey: HOHBQWITMXOSOW-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)C[Si](C)(C)C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

F: 10-21
wgk: 3
ridadr: UN 3272 3/PG 3
risk_code: 10
safety_code: 23-24/25
hazard_class: 3.2
packing_group: III
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

説明TERT-BUTYL TRIMETHYLSILYLACETATE is used to prepare lithium enolates which can be alkylated; can be alkenated with aldehydes and ketones; can be acylated; can be reacted with Group 14 halides.

使用t-Butyl Trimethylsilylacetate is used to prepare lithium enolates which can be alkylated;can be alkenated with aldehydes and ketones;can be acylated;can be reacted with Group 14 halides.Most applications require initial formation of the enolate (1) (eq 1), which is obtained as a white solid suspended in THF, stable indefinitely at 78°C.

調製方法 · 1 件

製造方法an advantage of t-butyl trimethylsilylacetate over its methyl and ethyl ester analogs is that it can be prepared by C-silylation of the lithium enolate of t-butyl acetate at 78°C in THF (85–90% yield). Under the same conditions the enolates of methyl and ethyl acetate give primarily O-silylated products.The reagent has also been prepared by a rapid boron trifluoride etherate catalyzed reaction of trimethylsilylketene with t-butyl alcohol.