N,N,N',N'-テトラメチル-O-(N-スクシンイミジル)ウロニウムヘキサフルオロホスファート

(Dimethylamino)((2,5-dioxopyrrolidin-1-yl)oxy)-N,N-dimethylmethaniminium hexafluorophosphate

HCID 16211151

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 265651-18-1
標準SMILES: CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C.F[P-](F)(F)(F)(F)F
InChIKey: STWZCCVNXFLDDD-UHFFFAOYSA-N
分子式: C9H16F6N3O3P
平均分子量: 359.21 g/mol
単同位体質量: 359.08334735

概要

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名称と識別子

優先名称: (Dimethylamino)((2,5-dioxopyrrolidin-1-yl)oxy)-N,N-dimethylmethaniminium hexafluorophosphate
IUPAC: [dimethylamino-(2,5-dioxopyrrolidin-1-yl)oxymethylidene]-dimethylazanium hexafluorophosphate
現地名: N,N,N',N'-テトラメチル-O-(N-スクシンイミジル)ウロニウムヘキサフルオロホスファート
英語名: N,N,N',N'-Tetramethyl-O-(N-succinimidyl)uronium hexafluorophosphate
分子式: C9H16F6N3O3P
分子量: 359.21

名称と別名

DTXSID90583377(Dimethylamino)((2,5-dioxopyrrolidin-1-yl)oxy)-N,N-dimethylmethaniminium hexafluorophosphate(Dimethylamino)[(2,5-dioxopyrrolidin-1-yl)oxy]-N,N-dimethylmethaniminium hexafluorophosphateRefChem:1050855DTXCID90534142265651-18-1HSTUN,N,N',N'-Tetramethyl-O-(N-succinimidyl)uronium hexafluorophosphateMFCD01863753o-(n-succinimidyl)-1,1,3,3-tetramethyluronium hexafluorophosphateO-(N-Succinimidyl)-N,N,N',N'-tetramethyluronium hexafluorophosphateMethanaminium, (dimethylamino)[(2,5-dioxo-1-pyrrolidinyl)oxy]dimethyl-, hexafluorophosphate(1-) (1:1)

名称をさらに表示

N,N,N',N'-テトラメチル-O-(N-スクシンイミジル)ウロニウムヘキサフルオロホスファートO-(N-スクシンイミジル)-N,N,N',N'-テトラメチルウロニウムヘキサフルオロホスファートO-(N-スクシンイミジル)-N,N,N',N'-テトラメチルウロニウムヘキサフルオロりん酸塩N,N,N',N'-テトラメチル-O-(N-スクシンイミジル)ウロニウムヘキサフルオロホスファートREF DUPL: HSTUO-(N-Succinimidyl)-1O-(N-SUCCINIMIDYL)-N,N,N',N'-TETRA-O-(N-Succinimidyl)-N,N,N',N'-tetramethyluroniumheN,N,N',N'-Tetramethyl-O-(N-succinimidyl)uronium heo-(n-succinimidyl)-n,n,n',n'-tetra-methyluroniumpf6-Tetramethyl-O-(N-succinimidyl)uronium hexafluorophosphate2-SUCCINIMIDO-1,1,3,3-TETRAMETHYLURONIM HEXAFLUOROPHOSPHATE2-SUCCINIMIDO-1,1,3,3-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATE

O-(N-Succinimidyl-1,1,3,3-tetramethyluronium hexafluorophosphateO-(N-Succinimidyl)-N,N,N',N'-tetramethyl uronium hexafluoro phosphate[dimethylamino-(2,5-dioxopyrrolidin-1-yl)oxymethylidene]-dimethylazanium;hexafluorophosphateC9H16F6N3O3PHSTU [N,N,N',N'-Tetramethyl-O-(N-succinimidyl)uronium hexafluorophosphate]SCHEMBL21066160STWZCCVNXFLDDD-UHFFFAOYSA-NN,N,N',N'-Tetramethyl-O-(N-succinimidyl)uroniumHexafluorophosphate

データベース識別子

CAS: 265651-18-1
PubChem CID: 16211151
DTXSID: DTXSID90583377

物性

構造計算による物性

極性表面積: 52.9 Å²
水素結合供与体数: 0
水素結合受容体数: 10
回転可能結合数: 3
重原子数: 22
形式電荷: 0
複雑度: 352

物理化学的性質

融点: 218 · 218-221°C
貯蔵温度: -20 °C · -20°C
溶解性: 0.5 g/mL · アセトニトリル 0.5 g/mL に可溶。
外見: 粉末または結晶性粉末
色: ホワイトからオフホワイト
主な用途: ペプチド合成
InChI: InChI=1S/C9H16N3O3.F6P/c1-10(2)9(11(3)4)15-12-7(13)5-6-8(12)14;1-7(2,3,4,5)6/h5-6H2,1-4H3;/q+1;-1
InChIKey: STWZCCVNXFLDDD-UHFFFAOYSA-N
SMILES: [P+5]([F-])([F-])([F-])([F-])([F-])[F-].O(N1C(CCC1=O)=O)/C(=[N+](\C)/C)/N(C)C
CAS データベース: 265651 · 265651-18-1(CAS DataBase Reference)

化学的性質

化学的特性White to off-white crystalline powder

安全と法規制

安全データ

wgk: 3
hs_code: 29280000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-60-37
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Coupling reagent for peptide synthesis and the formation of other amides. Yield in aqueous solution is excellent too.

一般的な説明N,N,N′,N′-Tetramethyl-O-(N-succinimidyl)uronium hexafluorophosphate can be used to prepare N-succinimidyl 4-[18F]fluorobenzoate ([18F]-SFB), a prosthetic group for the fluorination of biomolecules for PET imaging.