Iodomethylboronic Acid Pinacol Ester - CAS 70557-99-2

Catalog:	BB034178
Product Name:	Iodomethylboronic Acid Pinacol Ester
CAS:	70557-99-2
Synonyms:	2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Technical Data

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Computed Properties

IUPAC Name:	2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Description:	Used in the preparation of Taspase1 inhibitors and α-methylene-γ-butyrolactones. α-Methylene-γ-butyrolactones have the ability to suppress growth in pancreatic carcinoma cells.
Molecular Weight:	267.90
Molecular Formula:	C7H14IO2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)CI
InChI:	InChI=1S/C7H14BIO2/c1-6(2)7(3,4)11-8(5-9)10-6/h5H2,1-4H3
InChI Key:	UBNNPAYFVZFWPE-UHFFFAOYSA-N
LogP:	2.47110

Publication Number	Title	Priority Date
JP-2021119176-A	Cyclic peptide compound with Kras inhibitory effect	20191107
JP-6880352-B1	Cyclic peptide compound with Kras inhibitory effect	20191107
KR-20210064234-A	Cyclic peptide compound having Kras inhibitory action	20191107
WO-2021090855-A1	Cyclic peptide compound having kras inhibiting action	20191107
WO-2020252598-A1	Radiolabeled compounds targeting the prostate-specific membrane antigen	20190621

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Related Functional Groups

Boronic Acids and Esters

[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester

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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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	268.01316
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	268.01316
Rotatable Bond Count:	1
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0