Thiazole-5-boronic Acid Pinacol Ester - CAS 1086111-09-2

Catalog:	BB002294
Product Name:	Thiazole-5-boronic Acid Pinacol Ester
CAS:	1086111-09-2
Synonyms:	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

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Computed Properties

IUPAC Name:	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
Description:	Thiazole-5-boronic Acid Pinacol Ester (CAS# 1086111-09-2) is a useful research chemical.
Molecular Weight:	211.09
Molecular Formula:	C9H14NO2SB
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CN=CS2
InChI:	InChI=1S/C9H14BNO2S/c1-8(2)9(3,4)13-10(12-8)7-5-11-6-14-7/h5-6H,1-4H3
InChI Key:	ODYWLZYOVWNCGN-UHFFFAOYSA-N
Storage:	Inert atmosphere, Store in freezer, under -20 °C
LogP:	1.44230

Publication Number	Title	Priority Date
WO-2021207186-A1	Cd38 inhibitors	20200407
WO-2021158498-A1	Tricyclic heteroaryl compounds useful as irak4 inhibitors	20200203
US-2021261587-A1	STRAD-binding agents and Uses Thereof	20200130
WO-2021102569-A1	Cannabinoid derivatives	20191126
US-2021032251-A1	Heterobicyclic amides as inhibitors of cd38	20190731

PMID	Publication Date	Title	Journal
21580045	20091216	An inter-molecular dative B←N bond in 5-(4,4,5,5-tetra-methyl-1,3,2-dioxa-borolan-2-yl)-1,3-thia-zole	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Boronic Acids and Esters

[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[470478-90-1]
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
[2247367-07-1]
4,4,4',4',5,5,5',5'-octaethyl-2,2'-bi(1,3,2-dioxaborolane)
[2246646-61-5]
2-(3-((4-Bromo-2-chlorophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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GHS Hazard Statement:	H301 (95.12%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.0838300
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	211.0838300
Rotatable Bond Count:	1
Topological Polar Surface Area:	59.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0