2,2-Dimethylethenylboronic Acid - CAS 14559-88-7

Catalog:	BB009975
Product Name:	2,2-Dimethylethenylboronic Acid
CAS:	14559-88-7
Synonyms:	2-methylprop-1-enylboronic acid; 2-methylprop-1-enylboronic acid

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Computed Properties

IUPAC Name:	2-methylprop-1-enylboronic acid
Description:	2,2-Dimethylethenylboronic Acid (CAS# 14559-88-7) is a useful reagent in the preparation of prostaglandins via 1,4-conjugate addition.
Molecular Weight:	99.92
Molecular Formula:	C4H9O2B
Canonical SMILES:	B(C=C(C)C)(O)O
InChI:	InChI=1S/C4H9BO2/c1-4(2)3-5(6)7/h3,6-7H,1-2H3
InChI Key:	FWJRSOGVYOIVOC-UHFFFAOYSA-N
Boiling Point:	190.6 °C at 760 mmHg
Flash Point:	Not applicable
Density:	0.952 g/cm³
MDL:	MFCD01074609
LogP:	-0.03540

Publication Number	Title	Priority Date
CN-111560017-A	Dipeptide mimetic based on azabicyclo [ X, Y, 0] alkanone framework and preparation method thereof	20200525
WO-2021204884-A1	3-(4-alkenyl-phenyl)-3-pyrrolin-2-ones and their use as herbicides	20200409
WO-2020185738-A1	Heteroaromatic and heterobicyclic aromatic derivatives for the treatment of ferroptosis-related disorders	20190311
JP-2020129652-A	Polymer, polymer composition and light emitting device	20190207
KR-20200097200-A	Polymer, polymer composition and light emitting element	20190207

PMID	Publication Date	Title	Journal
17407360	20070427	Regioselective alkenylation of aromatic ketones with alkenylboronates using a RuH2(CO)(PPh3)3 catalyst via carbon-hydrogen bond cleavage	The Journal of organic chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	73.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.0695597
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	100.0695597
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0