3-Propoxyphenylboronic Acid - CAS 149557-18-6

Catalog:	BB010424
Product Name:	3-Propoxyphenylboronic Acid
CAS:	149557-18-6
Synonyms:	(3-propoxyphenyl)boronic acid; (3-propoxyphenyl)boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(3-propoxyphenyl)boronic acid
Description:	Reactant for: Copper-catalyzed asymmetric conjugate reduction; Preparation of sphingosine-1-phosphate receptor subtype-1 agonists.
Molecular Weight:	180.01
Molecular Formula:	C9H13O3B
Canonical SMILES:	B(C1=CC(=CC=C1)OCCC)(O)O
InChI:	InChI=1S/C9H13BO3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7,11-12H,2,6H2,1H3
InChI Key:	SRSWMXFANVKOFH-UHFFFAOYSA-N
Boiling Point:	339.4 °C at 760 mmHg
Melting Point:	99-106 °C (lit.)
Density:	1.1 g/cm³
Appearance:	Off-white solid
MDL:	MFCD03427190
LogP:	0.15520

Publication Number	Title	Priority Date
EP-3878891-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	20200310
WO-2021180795-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	20200310
WO-2020226126-A1	Compound having fluorene skeleton and method for producing same	20190509
JP-2020186220-A	Compounds having a fluorene skeleton and methods for producing them	20190509
TW-202104147-A	Compound with èŒ€ frame and its manufacturing method	20190509

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Related Functional Groups

Boronic Acids and Esters

[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[10365-98-7]
3-Methoxybenzeneboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.0957744
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	180.0957744
Rotatable Bond Count:	4
Topological Polar Surface Area:	49.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0