Ethyl 2-(Oxetan-3-ylidene)acetate - CAS 922500-91-2

Catalog:	BB040462
Product Name:	Ethyl 2-(Oxetan-3-ylidene)acetate
CAS:	922500-91-2
Synonyms:	2-(3-oxetanylidene)acetic acid ethyl ester; ethyl 2-(oxetan-3-ylidene)acetate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 2-(oxetan-3-ylidene)acetate
Description:	Ethyl 2-(Oxetan-3-ylidene)acetate (CAS# 922500-91-2) is a CBL-B inhibitors which is used in the treatment of cancer.
Molecular Weight:	142.15
Molecular Formula:	C7H10O3
Canonical SMILES:	CCOC(=O)C=C1COC1
InChI:	InChI=1S/C7H10O3/c1-2-10-7(8)3-6-4-9-5-6/h3H,2,4-5H2,1H3
InChI Key:	CVZGHWOZWYWLBL-UHFFFAOYSA-N
Boiling Point:	207.1 °C at 760 mmHg
Density:	1.228 g/cm³
MDL:	MFCD12755197
LogP:	0.50610

Publication Number	Title	Priority Date
CN-113121398-A	Aryl alkylamine compound, preparation method and application thereof in medicine	20191231
CN-112390797-A	Novel spirocyclic K-Ras G12C inhibitor	20190815
WO-2021021761-A1	Urea, amide, and substituted heteroaryl compounds for cbl-b inhibition	20190730
US-2020323904-A1	3-substituted piperidine compounds for cbl-b inhibition, and use of a cbl-b inhibitor in combination with a cancer vaccine and/or oncolytic virus	20190409
WO-2020210508-A1	3-substituted piperidine compounds for cbl-b inhibition, and use of a cbl-b inhibitor in combination with a cancer vaccine and/or oncolytic virus	20190409

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.062994177
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	142.062994177
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2