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膦酰基乙酸三乙酯 | 867-13-0

膦酰基乙酸三乙酯
Triethyl phosphonoacetate
867-13-0
C8H17O5P
224.191344022751
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:膦酰基乙酸三乙酯结构式
24887466
名称和标识符
MDL MFCD00009177
InChIKey GGUBFICZYGKNTD-UHFFFAOYSA-N
Inchi 1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3
SMILES O=C(CP(OCC)(OCC)=O)OCC
BRN 1343714
别名信息
- 中文别名 -
  • 膦酰基乙酸三乙酯
  • 膦酰乙酸三乙脂
  • (二乙氧基膦基)乙酸乙酯
  • Triethyl Phosphonoacetate 膦酰基乙酸三乙酯
  • 磷酰基乙酸三乙酯
  • 膦酰乙酸三乙酯
  • 乙氧基碳基甲烷磷酸二乙酯
  • 磷酰乙酸三乙酯
  • 三乙基膦酰基乙酸酯
  • 三乙基膦酰乙酸酯
  • 乙氧基羰酰甲基膦酸二乙酯
  • 羧甲基膦酸三乙酯
  • 二乙基膦基乙酸乙酯
- 英文别名 -
  • Ethyl 2-(diethoxyphosphoryl)acetate
  • TEPA
  • Diethyl ethoxycarbonylmethylphosphonate
  • Phosphonoacetic acid triethyl ester
  • Triethyl phosphonacetate
  • (Ethoxycarbonylmethyl)-diethoxyphosphine oxide
  • Triethyl phosphonoacetate
  • Acetic acid, 2-(diethoxyphosphinyl)-, ethyl ester
  • DIETHYLPHOSPHONOACETIC ACID ETHYL ESTER
  • Triethyl Phosphonoac
  • AURORA KA-1452
  • diethoxyphosphoryl-acetic acid ethyl ester
  • Diethyl [(ethoxycarbonyl)methyl]phosphonate
  • PHOSPHONOACETIC ACID ETHYL ESTER
  • tl465
  • TRIETHY
  • TRIETHYL PHOSPHONOACEATE
  • Triethyl Phosphonoacetate ( Tepp)
  • TRIETHYL PHOSPHONOACETATE FOR SYNTHESIS
  • TRIETHYLPHOSPONOACETATE
  • Trietyl Phosphonoacetate
  • (Diethoxyphosphinyl)acetic acid ethyl ester
  • NSC 13898
  • NSC 16128
  • Ethyl Diethylphosphonoacetate
  • Ethyl (diethoxyphosphoryl)acetate
  • Ethyl (diethylphosphono)acetate
  • Triethyl phosphonoethanoate
  • Diethyl carboethoxymethylphosphonate
  • Acetic acid, (diethoxyphosphinyl)-, ethyl ester
  • Ethyl diethoxyphosphoryl acetate
  • Diethyl ethoxycarbonylmethanephosphonate
  • ETHYL (DIETHOXYPHOSPHINYL)ACETATE
  • Diethyl carbethoxymethylphosphonate
  • Phosphonoacetic acid, triethyl ester
  • Triethylphosphonoacetate
  • TL 4
  • Diethylphosphonoacetic Acid Ethyl Ester
  • Phosphonoacetic Acid Triethyl Ester
  • Acetic acid, (diethoxyphosphinyl)-, ethyl ester (9CI)
  • Acetic acid, phosphono-, triethyl ester (6CI, 7CI, 8CI)
  • (Diethoxyphosphoryl)acetic acid ethyl ester
  • (Ethoxycarbonylmethyl)diethoxyphosphine oxide
  • 2-(Diethoxyphosphinyl)acetic acid ethyl ester
  • 2-Phosphonoacetic acid triethyl ester
  • Carbethoxymethyldiethyl phosphonate
  • Diethyl 2-ethoxy-2-oxoethylphosphonate
  • Diethyl phosphonoacetic acid ethyl ester
  • Ethyl (diethoxyphosphinyl)acetate
  • Ethyl 2-(diethoxylphosphoryl)acetate
  • Ethyl 2-(diethoxyphosphinyl)acetate
  • Ethyl 2-(diethylphosphono)acetate
  • Ethyl α-diethylphosphonoacetate
  • JC 224
  • Triethyl 2-phosphonoacetate
  • Triethyl phosphonoacetate,99%
物化性质
实验特性
LogP 1.81560
PSA 71.64000
折射率 n20/D 1.431(lit.)
n20/D 1.432
水溶性 Slightly miscible with water.
沸点 145°C/9mmHg(lit.)
熔点 -24°C
闪点 华氏:221 °F
摄氏:105 °C
颜色与性状 未确定
溶解性 未确定
密度 1.13 g/mL at 25 °C(lit.)
计算特性
精确分子量 224.08100
氢键供体数量 0
氢键受体数量 5
可旋转化学键数量 8
同位素质量 224.081
重原子数量 14
复杂度 206
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 0.5
互变异构体数量
表面电荷 0
拓扑分子极性表面积 61.8
国际标准相关数据
EINECS 212-757-6
海关数据
海关编码 2931901990
海关数据

中国海关编码:

2931900090

概述:

2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%

Summary:

2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

合成路线

合成路线:1 步

参考文献:
Studies on the synthesis of vitamin D metabolites and analogs. Synthesis of 1α,3β,25-trihydroxy-21-norcholesta-5,7-diene triacetate
Pumar, M. C.; et al, Anales de Quimica, 1988, 84(1), 105-11

合成路线:1 步

参考文献:
Domino-reduction-aldolization Reactions Catalyzed Inter- and Intramolecularly by Chiral Copper Complexes
Deschamp, Julia, 2008, , ,

合成路线:1 步

反应条件:
参考文献:
Synthesis and α-glucosidase inhibitory activity of cinnamic amides
Cai, Xiao-Hua; et al, Youji Huaxue, 2007, 27(1), 77-81

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参考文献:
Synthesis of the sex pheromone of Lygus lineolaris (Heteroptera miridae)
Shakirzyanova, G. S.; et al, Chemistry of Natural Compounds (Translation of Khimiya Prirodnykh Soedinenii), 2001, 36(6), 623-624

合成路线:1 步

反应条件:
参考文献:
Synthesis and spectroscopic characterization of [1'-14C]ubiquinone-2, [1'-14C]-5-demethoxy-5-hydroxyubiquinone-2, and [1'-14C]-5-demethoxyubiquinone-2
Van der Klei, Anita; et al, European Journal of Organic Chemistry, 2002, (17), 3015-3023

合成路线:1 步

反应条件:
参考文献:
Trifluoromethanesulfonic acid-catalyzed reaction of diazo compounds with dialkyl phosphites to form phosphonates
Polozov, A. M.; et al, Zhurnal Obshchei Khimii, 1992, 62(6), 1429-30

合成路线:1 步

反应条件:
参考文献:
Synthesis of dialkyl alkoxycarbonylmethanephosphonates (alkyl dialkoxyphosphinylacetates) using phase-transfer catalysis
Ye, Weizhen; et al, Synthesis, 1985, (10), 986-8

合成路线:1 步

反应条件:
参考文献:
Enantioselective Total Synthesis of the Antitumor Macrolide Rhizoxin D
Lafontaine, Jennifer A.; et al, Journal of Organic Chemistry, 2003, 68(11), 4215-4234

合成路线:2 步

反应条件:
参考文献:
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Solas, Marta ; et al, Angewandte Chemie, 2022, 61(35),

合成路线:1 步

反应条件:
参考文献:
Reaction of diethyl phosphorochloridite with enolates: a general method for synthesis of β-keto phosphonates and α-phosphono esters through carbon-phosphorus bond formation
Lee, Koo; et al, Journal of Organic Chemistry, 1991, 56(19), 5556-60

合成路线:1 步

反应条件:
参考文献:
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Victoria-Miguel, Jorge; et al, Journal of Organic Chemistry, 2022, 87(14), 9088-9099

合成路线:2 步

反应条件:
参考文献:
Reaction of haloacetylenephosphonates with nucleophilic anions
Garibina, V. A.; et al, Zhurnal Obshchei Khimii, 1985, 55(9), 1994-2006

合成路线:1 步

参考文献:
Development of Catalysts for the Addition of N-H and O-H to Carbon-Carbon Double Bonds
Taylor, Jason Guy, 2008, , ,

合成路线:1 步

反应条件:
参考文献:
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Hardman, Clayton ; et al, Nature Communications, 2020, 11(1),

合成路线:1 步

参考文献:
Synthesis of halogenated phosphonoacetate esters
McKenna, Charles E.; et al, Journal of Organic Chemistry, 1986, 51(26), 5467-70

合成路线:2 步

反应条件:
参考文献:
Enantioselective Total Synthesis of the Antitumor Macrolide Rhizoxin D
Lafontaine, Jennifer A.; et al, Journal of Organic Chemistry, 2003, 68(11), 4215-4234

合成路线:1 步

反应条件:
参考文献:
Synthesis of triethyl phosphonoacetate esters catalyzed by iodine
Cai, Xiaohua; et al, Huaxue Yanjiu, 2006, 17(1), 41-43

合成路线:1 步

反应条件:
参考文献:
Reaction of haloacetylenephosphonates with nucleophilic anions
Garibina, V. A.; et al, Zhurnal Obshchei Khimii, 1985, 55(9), 1994-2006

合成路线:1 步

反应条件:
参考文献:
Rational design of a minimal and highly enriched CYP102A1 mutant library with improved regio-, stereo- and chemoselectivity
Seifert, Alexander; et al, ChemBioChem, 2009, 10(5), 853-861

合成路线:1 步

反应条件:
参考文献:
A new one-pot synthesis of dialkyl phosphonates from diazo compounds and dialkyl hydrogen phosphites
Polozov, A. M.; et al, Synthesis, 1990, (6), 515-17

合成路线:1 步

参考文献:
Carboxylic acid esters: synthesis from carbonic acid derivatives
Collier, S. J., Science of Synthesis, 2006, 20, 665-709

合成路线:1 步

反应条件:
参考文献:
Development of potent inhibitors of the coxsackievirus 3C protease
Lee, Eui Seung; et al, Biochemical and Biophysical Research Communications, 2007, 358(1), 7-11

合成路线:1 步

反应条件:
参考文献:
Study on the synthesis of ethyl 2-(diethoxyphosphoryl)-3-methylbutanoate
Zhao, Jianbin; et al, Guangdong Huagong, 2013, 40(22),

合成路线:2 步

反应条件:
参考文献:
Peptidomimetic vinyl heterocyclic inhibitors of cruzain effect antitrypanosomal activity
Chenna, Bala C. ; et al, Journal of Medicinal Chemistry, 2020, 63(6), 3298-3316

合成路线:1 步

反应条件:
参考文献:
Simple synthesis of new 3-substituted 4-(3-chloro-4-fluorophenyl)-1H-pyrrole derivatives and their anticancer activity in vitro
Lan, Lan; et al, Heterocycles, 2014, 89(2), 375-397

合成路线:1 步

反应条件:
参考文献:
Diethyl phosphonite
Green, Kenneth, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, 1, 1-3

合成路线:1 步

反应条件:
参考文献:
α-Lithioalkylphosphonates as functional group carriers. An in situ acrylic ester synthesis
Tay, M. K.; et al, Synthetic Communications, 1988, 18(12), 1349-62
相关文献
专业数据库参考
PubChemId 24887466
参考资料
Reaxys RN 1343714
Beilstein 4(1)573
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