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
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 |
