2-(3,4-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Product Information

Molecular Formula:
C14H21BO4
Molecular Weight:
264.13
Description
2-(3,4-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is vital in pharmaceutical synthesis, particularly in developing anticancer drugs. It participates in the Suzuki coupling reaction for the generation of biaryl compounds used for cancer treatment.
Synonyms
2-(3,4-DIMETHOXYLOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE; 2-(3,4-DIMETHOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE; 3,4-DIMETHOXYPHENYLBORONIC ACID, PINACOL ESTER; 2-(3,4-Dimethoxyphenyl)-4,4,5,5-tetramethyl-
IUPAC Name
2-(3,4-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C14H21BO4/c1-13(2)14(3,4)19-15(18-13)10-7-8-11(16-5)12(9-10)17-6/h7-9H,1-6H3
InChI Key
QPWUFMRNTUHMJD-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
96%

Safety Information

Hazards
H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
264.1532893 g/mol
Monoisotopic Mass
264.1532893 g/mol
Topological Polar Surface Area
36.9Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
303
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113264937-A 4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof 2021-06-08
WO-2021028382-A1 [1,2,4]triazolo[1,5-c]quinazolin-5-amines 2019-08-12
TW-202126655-A [1,2,4]triazolo[1,5-c]quinazolin-5-amines 2019-08-12
WO-2019141202-A1 Tam family kinase /and csf1r kinase inhibitor and use thereof 2018-01-17
EP-3741752-A1 Tam family kinase /and csf1r kinase inhibitor and use thereof 2018-01-17
US-2021177828-A1 Tam family kinase /and csf1r kinase inhibitor and use thereof 2018-01-17
KR-101919980-B1 A novel selenoflavone compound as anti-obesity agent 2017-03-16
KR-20180106800-A A novel selenoflavone compound as anti-obesity agent 2017-03-16
JP-2019534261-A Spiro ring compounds 2016-10-05
KR-20190075931-A Spiroglycine compound 2016-10-05
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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