基本情報
- CAS
20061-84-1- 標準SMILES
CCOP(=O)(C=CNC1CCCCC1)OCC- InChIKey
GCOCYGLSBKOTBU-UHFFFAOYSA-N- 分子式
- C12H24NO3P
- 平均分子量
- 261.3 g/mol
- 単同位体質量
- 261.14938026
概要
See also: Diethyl cyclohexylaminovinylphosphonate (annotation moved to).
名称と識別子
- 優先名称
- Diethyl [2-(cyclohexylamino)vinyl]phosphonate
- IUPAC
- N-(2-diethoxyphosphorylethenyl)cyclohexanamine
- 現地名
- 2-(シクロヘキシルアミノ)ビニルホスホン酸ジエチル
- 英語名
- Diethyl cyclohexylaminovinyl phosphate
- 分子式
- C12H24NO3P
- 分子量
- 261.3
名称と別名
Diethyl (2-(cyclohexylamino)vinyl)phosphonateEINECS 243-492-4NSC 165750Diethyl [2-(cyclohexylamino)vinyl]phosphonateRefChem:586999243-492-420061-84-1diethyl [2-(cyclohexylamino)ethenyl]phosphonateN-(2-diethoxyphosphorylethenyl)cyclohexanamineDiethyl 2-(cyclohexylamino)vinylphosphonateDiethyl-2-(cyclohexylamino)-vinylphosphonate;Phosphonic acid, P-[2-(cyclohexylamino)ethenyl]-, diethyl ester
名称をさらに表示
2-(シクロヘキシルアミノ)ビニルホスホン酸ジエチルジエチル [2-(シクロヘキシルアミノ)エテニル]ホスホナートDiethyl cyclohexylaminovinyl phosphateDIETHYL CYCLOHEXYLAMINOVINYLPHOSPHONATEdiethyl 2-(cyclohexylimino)ethylphosphonateDiethyl b-(Cyclohexylimino)ethylphosphonatediethyl (E)-(2-(cyclohexylamino)vinyl)phosphonateN-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine(E)-diethyl (2-(cyclohexylaMino)vinyl) phosphonateCYCLOHEXYLAMINOETHENEPHOSPHORIC ACID DIETHYL ESTER[2-(Cyclohexylamino)-vinyl]-phosphonic acid diethyl ester
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 47.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 7
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 265
物理化学的性質
- 融点
- 58 · 58-61 °C
- 沸点
- 151 · 151-152 °C(Press: 0.04 Torr)
- 比重(密度)
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 5.3 · 5.30±0.70(Predicted)
- 外見
- crystalline solid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Danger
H314 (95.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesSkin Corr. 1B (95.1%)
安全データ
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H314
化学と産業
応用分野
使用Diethyl β-(Cyclohexylimino)ethylphosphonate is used as a reagent for formylalkenation at carbonyl centers.[1]
調製方法
製造方法Preparative Methods of Diethyl β-(Cyclohexylimino)ethylphosphonate: (EtO)2CHCH2P(O)(OEt)2 is prepared by reaction of Triethyl Phosphite with BrCH2CH(OEt)2. Acetal hydrolysis affords diethyl formylmethylphosphonate, which is combined with an equimolar quantity of cyclohexylamine in MeOH. The product is isolated by fractional distillation in the presence of K2CO3, to prevent acid-catalyzed dimerization, and at reduced pressure, followed by crystallization from cold pentane.[1b] Yields are 65-75%. A modified procedure for imine formation uses MeCN as solvent with isolation of product from Et2O at -40 °C to afford white crystalline material in 70% yield.[2]
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