N-BOC-isoindoline-4-boronic Acid Pinacol Ester - CAS 1035235-28-9

Catalog:	BB061850
Product Name:	N-BOC-isoindoline-4-boronic Acid Pinacol Ester
CAS:	1035235-28-9
Synonyms:	tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydro-2H-isoindole-2-carboxylate

Technical Data

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Patents

Computed Properties

IUPAC Name:	tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate
Description:	N-BOC-isoindoline-4-boronic acid, pinacol ester
Molecular Weight:	345.24
Molecular Formula:	C19H28BNO4
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C3CN(CC3=CC=C2)C(=O)OC(C)(C)C
InChI:	InChI=1S/C19H28BNO4/c1-17(2,3)23-16(22)21-11-13-9-8-10-15(14(13)12-21)20-24-18(4,5)19(6,7)25-20/h8-10H,11-12H2,1-7H3
InChI Key:	OFSNRLCTQYDTQE-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021245405-A1	Inhibitors of mlh1 and/or pms2 for cancer treatment	20200601
CN-108698992-A	2- cyano isoindoline derivatives for treating cancer	20160318
US-10683269-B2	2-cyanoisoindoline derivatives for treating cancer	20160318
US-2019010122-A1	2-cyanoisoindoline derivatives for treating cancer	20160318
EP-3429994-B1	2-cyanoisoindoline derivatives for treating cancer	20160318
CA-2965523-A1	Carbazole derivatives	20141024
CN-107074804-B	Carbazole derivatives	20141024
EP-3209651-B1	Carbazole derivatives	20141024
EP-3209651-B9	Carbazole derivatives	20141024
US-10266491-B2	Carbazole derivatives	20141024

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	512
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	345.2111385
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	345.2111385
Rotatable Bond Count:	3
Topological Polar Surface Area:	48Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0