Ethyl 3-ethoxyacrylate - CAS 1001-26-9

Catalog:	BB000094
Product Name:	Ethyl 3-ethoxyacrylate
CAS:	1001-26-9
Synonyms:	ethyl (E)-3-ethoxyprop-2-enoate

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Computed Properties

IUPAC Name:	ethyl (E)-3-ethoxyprop-2-enoate
Description:	Ethyl 3-ethoxyacrylate (CAS# 1001-26-9) is used in the preparation of N-[3-(3-Cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide, a principal impurity of Zaleplon (Z145000).
Molecular Weight:	144.17
Molecular Formula:	C7H12O3
Canonical SMILES:	CCOC=CC(=O)OCC
InChI:	InChI=1S/C7H12O3/c1-3-9-6-5-7(8)10-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChI Key:	ITQFPVUDTFABDH-AATRIKPKSA-N
Boiling Point:	195-196 ℃
Purity:	95 %
Density:	0.998 g/cm³
Appearance:	Clear slightly yellow liquid
Storage:	2-8 ℃
MDL:	MFCD00009863
LogP:	1.09970

Publication Number	Title	Priority Date
CN-113477606-A	Method for removing paint of ship structure	20210629
CN-112892436-A	Full continuous flow production process of 1-alkyl-5-hydroxypyrazole	20201230
WO-2021207343-A1	Malt1 inhibitors and uses thereof	20200408
WO-2021165834-A1	5-(3-(ethylsulfonyl)pyridin-2-yl)-pyrazolo[1,5-a]pyrimidine derivatives and related compounds as pesticide and insecticide agents for crop protection	20200218
WO-2021155320-A1	Compounds and uses thereof	20200129

PMID	Publication Date	Title	Journal
15497746	20040901	[Bisbenzothieno[3,2-b: 2',3'-e]pyridines]	Die Pharmazie

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	144.078644241
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.078644241
Rotatable Bond Count:	5
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1