1-Propene-1-boronic Acid Pinacol Ester - CAS 72824-05-6

Catalog:	BB034703
Product Name:	1-Propene-1-boronic Acid Pinacol Ester
CAS:	72824-05-6
Synonyms:	4,4,5,5-tetramethyl-2-prop-1-enyl-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-prop-1-enyl-1,3,2-dioxaborolane

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane
Description:	1-Propene-1-boronic Acid Pinacol Ester (CAS# 72824-05-6) is a useful research chemical.
Molecular Weight:	168.04
Molecular Formula:	C9H17O2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C=CC
InChI:	InChI=1S/C9H17BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6-7H,1-5H3
InChI Key:	COPMASWDWLENMV-UHFFFAOYSA-N
LogP:	2.19390

Publication Number	Title	Priority Date
WO-2021146370-A1	Map4k1 inhibitors	20200115
WO-2021032088-A1	Method for preparing l-erythrobiopterin compound	20190819
CN-112390800-A	Preparation method of L-erythro biopterin compound	20190819
WO-2021007477-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20190711
BR-112020012476-A2	small molecule modulators of the keap1 btb domain	20171222

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Related Functional Groups

Boronic Acids and Esters

[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid
[10365-98-7]
3-Methoxybenzeneboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[850623-36-8]
Potassium (4-Cyanophenyl)trifluoroborate
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	168.1321599
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.1321599
Rotatable Bond Count:	1
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0