4-Chlorobenzylboronic Acid Pinacol Ester - CAS 475250-49-8

Name: 4-Chlorobenzylboronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026332
Product Name:	4-Chlorobenzylboronic Acid Pinacol Ester
CAS:	475250-49-8
Synonyms:	2-[(4-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[(4-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Technical Data

Patents

Computed Properties

IUPAC Name:	2-[(4-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Description:	4-Chlorobenzylboronic Acid Pinacol Ester (CAS# 475250-49-8) is a useful research chemical.
Molecular Weight:	252.54
Molecular Formula:	C13H18ClO2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)CC2=CC=C(C=C2)Cl
InChI:	InChI=1S/C13H18BClO2/c1-12(2)13(3,4)17-14(16-12)9-10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3
InChI Key:	JDACVUOXXNUDGH-UHFFFAOYSA-N
MDL:	MFCD10698531
LogP:	3.78030

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Related Functional Groups

Boronic Acids and Esters

[1022092-33-6]C12H18N3O2B
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1256355-43-7]C9H11O4B
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[355836-10-1]C8H8F3O4B
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[937796-06-0]C17H23N2O2B
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
[1245906-70-0]C4H2ClF3N2BK
Potassium (2-Chloro-5-pyrimidinyl)trifluoroborate

Publication Number	Title	Priority Date
CN-110790661-A	Method for converting benzyl borate compounds into phenylacetic acid and derivatives thereof by using carbon dioxide	20191029
WO-2019149657-A1	Benzyl-, (pyridin-3-yl)methyl- or (pyridin-4-yl)methyl-substituted oxadiazolopyridine derivatives as ghrelin o-acyl transferase (goat) inhibitors	20180202
AU-2019215707-A1	Benzyl-, (pyridin-3-yl)methyl- or (pyridin-4-yl)methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors	20180202
BR-112020013082-A2	benzyl-, (pyridin-3-yl) methyl- or (pyridin-4-yl) methyl-substituted oxadiazolopyridine derivatives as ghrelin o-acyl transferase (goat) inhibitors	20180202
EP-3746451-A1	Benzyl-, (pyridin-3-yl)methyl- or (pyridin-4-yl)methyl-substituted oxadiazolopyridine derivatives as ghrelin o-acyl transferase (goat) inhibitors	20180202

Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.1088377
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	252.1088377
Rotatable Bond Count:	2
Topological Polar Surface Area:	18.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0