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Merck
CN

417467

2-膦酰丁酸三乙酯

98%

别名:

α-Diethylphosphonobutanoic acid ethyl ester, Ethyl 2-(diethoxyphosphoryl)butanoate, NSC 22423

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线性分子式:
(C2H5O)2P(O)CH(C2H5)CO2C2H5
化学文摘社编号:
分子量:
252.24
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352108
MDL number:
Assay:
98%
Form:
liquid
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InChI

1S/C10H21O5P/c1-5-9(10(11)13-6-2)16(12,14-7-3)15-8-4/h9H,5-8H2,1-4H3

SMILES string

CCOC(=O)C(CC)P(=O)(OCC)OCC

InChI key

GYUCVQSNZFRDRL-UHFFFAOYSA-N

assay

98%

form

liquid

reaction suitability

reaction type: C-C Bond Formation

refractive index

n20/D 1.432 (lit.)

bp

152-154 °C/14 mmHg (lit.)

density

1.064 g/mL at 25 °C (lit.)

functional group

ester, phosphonate

Application

Reactant for preparation of:
  • Furospinosulin-1 and analogs as hypoxia-selective antitumor agents
  • Aminoquinolines as beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors and potential anti-Alzheimer′s drugs
  • Phenylpropanoic acid peroxisome proliferator-activated receptor (PPAR) α-selective agonists as nonalcoholic steatohepatitis (NASH)-preventive agents
  • PPAR agonists with phenethylphenylphthalimide skeleton derived from thalidomide-related LXR antagonists
  • Notch-sparing γ-secretase inhibitors derived from PPAR agonist library
  • Plakotenin via Diels-Alder reaction, as a potential anticancer agent, naturally found in Okinawan sponge of the genus Plakortis
  • Quinone/naphthoquinone-substituted propenoic acids as inhibitors of cell growth and redox function of apurinic/apyrimidinic endonuclease 1/redox enhancing factor 1 (Ape1/Ref-1)
  • α-alkenyl cyclic ethers by asymmetric dehydrative cyclization of ω-hydroxy allyl alcohols catalyzed by Ru complexes of axially chiral naphthylpyridinecarboxylates
  • Branched phosphonoethoxyethyl purines as new acyclic nucleoside phosphonates which inhibit Plasmodium falciparum (malarial parasite) hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT)
  • Phenylpropanoic acid-type peroxisome proliferator-activated receptor pan agonists as candidate drugs for treatment of altered metabolic homeostasis

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

存储类别

10 - Combustible liquids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

法规信息

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