CAS 1099-45-2|ethyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate|(Ethoxycarbonylmethylene)triphenylphosphorane|Ethyl (triphenylphosphoranylidene)acetate|ethyl 2-(triphenyl-$l^{5}-phosphanylidene)acet...

基本信息

化学结构

分子式

C₂₂H₂₁O₂P

分子量

348.374701

精确质量

348.12791654

电荷

InChI

InChI=1S/C22H21O2P/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3

InChIKey

IIHPVYJPDKJYOU-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1

Isomeric Smiles

P(=CC(=O)OCC)(c1ccccc1)(c1ccccc1)c1ccccc1

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

6.2381

LogD (pH = 7.4)

6.2381

Log P

6.2381

摩尔折射率

103.1977

极化性

40.616707

极化表面积

26.3

可自由旋转的化学键

里宾斯基五规则

false

数据来源

名称和标识

IUPAC传统名

ethyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate ethyl 2-(triphenyl-λ⁵-phosphanylidene)acetate

别名

(Ethoxycarbonylmethylene)triphenylphosphoraneEthyl (triphenylphosphoranylidene)acetate(Carbethoxymethylene)triphenylphosphoraneEthyl (triphenylphosphoranyliden)acetate乙基(三苯基膦)乙酸酯(乙氧基羰基亚甲基)三苯基磷烷(Ethoxycarbonylmethylene)triphenylphosphoraneTriphenylcarbethoxymethylenephosphorane(2-Ethoxy-2-oxoethylidene)triphenylphosphorane
(Carbethoxymethylene)triphenylphosphorane
(Carbethoxymethylidene)triphenylphosphorane
(Ethoxycarbonylmethylidene)triphenylphosphorane
Ethyl (triphenylphosphoranylidene)acetateethyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate乙氧甲酰基亚甲基三苯基膦乙基(三苯基膦)乙酸酯(Carbethoxymethylene)triphenylphosphorane(乙氧基羰基亚甲基)三苯基磷烷(Ethoxycarbonylmethylene)triphenylphosphorane2-(Triphenylphosphoranylidene)acetic Acid Ethyl Ester(Carboethoxymethylene)triphenylphosphorane(2-Ethoxy-2-oxoethylidene)triphenylphosphoraneNSC 72406

IUPAC标准名

ethyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate ethyl 2-(triphenyl-λ⁵-phosphanylidene)acetate

名称和标识

数据登录号

CAS号

1099-45-2

MDL号

MFCD00009183

Chemspider ID

63836

维基百科标题

Triphenylcarbethoxymethylenephosphorane

PubChem CID

2489275470670

EC号

214-151-7

Beilstein号

754639

PubChem SID

2484533616203551624892754

数据登录号

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

Wikipedia

Triphenylcarbethoxymethylenephosphorane

Sigma Aldrich

C5106

包装
25, 100 g in poly bottle
5 g in glass bottle

02595

Application
稳定化的膦

TRC

C175910

A common Wittig reagent. A cholinesterase inhibitor.

描述信息

参考文献

PubChem文献

数据源提供

• Hata, A., et al.: Mol. Pharmacol., 67, 640 (1996)

• Naito, T., et al.: Chem. Pharm. Bull., 44, 624 (1996)

• More highly-substituted ylides can be prepared by alkylation (e.g. with benzyl bromide) and abstraction of a proton by NaOH. See, e.g.: Synth. Commun., 19, 1899 (1989).

• Coumarins have been synthesized from o-hydroxy acetophenones: Monatsh. Chem., 115, 765 (1984); o-hydroxy aldehydes give the 4-unsubstituted analogues: Chem. Pharm. Bull., 39, 3100 (1991); 42, 2032 (1994); Indian J. Chem. B, 32, 1159 (1993):

• Reaction with acid chlorides leads to esters of allenic acids. See, e.g.: Org. Synth. Coll., 7, 232 (1990).

• See also (Methoxycarbonylmethylene)triphenylphosphorane, A14020, and Appendix 1.

• Stable crystalline ylide which reacts with aldehydes giving substituted ethyl acrylates. This reaction has been used in an indole synthesis from o-nitrobenzaldehydes: Synthesis, 862 (1984); 401 (1987):

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC传统名

ethyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate ethyl 2-(triphenyl-λ⁵-phosphanylidene)acetate

别名

IUPAC标准名

ethyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate ethyl 2-(triphenyl-λ⁵-phosphanylidene)acetate

数据登录号

CAS号

1099-45-2

MDL号

MFCD00009183

Chemspider ID

63836

维基百科标题

Triphenylcarbethoxymethylenephosphorane

PubChem CID

2489275470670

EC号

214-151-7

Beilstein号

754639

PubChem SID

2484533616203551624892754

描述信息

Wikipedia

Triphenylcarbethoxymethylenephosphorane

Sigma Aldrich

C5106

包装
25, 100 g in poly bottle
5 g in glass bottle

02595

Application
稳定化的膦

TRC

C175910

A common Wittig reagent. A cholinesterase inhibitor.

参考文献

PubChem文献

数据源提供

• Hata, A., et al.: Mol. Pharmacol., 67, 640 (1996)

• Naito, T., et al.: Chem. Pharm. Bull., 44, 624 (1996)

• More highly-substituted ylides can be prepared by alkylation (e.g. with benzyl bromide) and abstraction of a proton by NaOH. See, e.g.: Synth. Commun., 19, 1899 (1989).

• Reaction with acid chlorides leads to esters of allenic acids. See, e.g.: Org. Synth. Coll., 7, 232 (1990).

• See also (Methoxycarbonylmethylene)triphenylphosphorane, A14020, and Appendix 1.

生物活性

PubChem BioAssay

化合物性质

化合物信息

ID:69791