Ethyl cis-3-iodoacrylate - CAS 31930-36-6

Name: Ethyl cis-3-iodoacrylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021104
Product Name:	Ethyl cis-3-iodoacrylate
CAS:	31930-36-6
Synonyms:	ethyl (Z)-3-iodoprop-2-enoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl (Z)-3-iodoprop-2-enoate
Description:	Ethyl cis-3-iodoacrylate (CAS# 31930-36-6) is a reactant used in the synthesis of complex naphtho(benzo)furans as well as in the cobalt-catayzed cross coupling of functionalized organozinc pivalates.
Molecular Weight:	226.01
Molecular Formula:	C5H7IO2
Canonical SMILES:	CCOC(=O)C=CI
InChI:	InChI=1S/C5H7IO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3-
InChI Key:	AELYFQSZXFFNGP-ARJAWSKDSA-N
Boiling Point:	85 °C20 mmHg (lit.)
Purity:	95 %
Density:	1.765 g/cm³
Appearance:	Colorless to yellow liquid
Storage:	Refrigerator
MDL:	MFCD00209584
LogP:	1.49820

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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

Publication Number	Title	Priority Date
CN-113045550-A	Triazole derivative and preparation method and application thereof	20210312
CN-112679477-A	Preparation method of celecoxib and intermediate thereof	20201217
CN-112538069-A	Azole derivative or pharmaceutically acceptable salt thereof, and preparation method and application thereof	20201105
EP-3641891-A1	Synthesis of disorazoles and analogs thereof as potent anticancer agents	20170622
WO-2018237178-A1	SYNTHESIS OF DISORAZOLES AND THEIR ANALOGUES AS POWERFUL ANTICANCER AGENTS	20170622

Complexity:	98.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	225.94908
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.94908
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6