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

[1022092-33-6]
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[2246646-61-5]
2-(3-((4-Bromo-2-chlorophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[2246736-67-2]
2-(3-((4-Bromo-2-fluorophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[2246811-63-0]
2-(3-((4-Chlorobenzyl)oxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[2246802-64-0]
2-(3-((4-Chlorophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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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