4-(N,N-dimethylamino)phenylboronic acid, pinacol ester
Product Information
Molecular Formula
C14H22BNO2
Molecular Weight
247.14
Description
4-(N,N-dimethylamino)phenylboronic acid, pinacol ester is a key intermediate in the synthesis of pharmaceutical drugs targeting various diseases and conditions such as cancer, diabetes, and inflammatory disorders.
Synonyms
N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 4-(n,n-dimethylamino)phenylboronic acid, pinacol ester; 4-(n,n-dimethylamino)phenylboronic acid pinacol ester; dimethyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amine; 4-(Dimethylamino)phenylboronic Acid Pinacol Ester; 4-(n,n-dimethylamino)phenylboronic acid,pinacol ester; (4-(DIMETHYLAMINO)PHENYL)BORONIC ACID PINACOL ESTER; 4-(N,N-Dimethylamino)phenylboronic acid, pinacol ester; 2-[4-(Dimethylamino)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborole; Dimethyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan -2-yl)phenyl]amine
IUPAC Name
N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-9-12(10-8-11)16(5)6/h7-10H,1-6H3
InChI Key
DGMLJJIUOFKPKB-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H317
Precautionary Statement
P280
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
247.1743591 g/mol
Monoisotopic Mass
247.1743591 g/mol
Topological Polar Surface Area
21.7Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
280
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-113004194-A | Circular polarization luminescent organic micro-nano crystal material and preparation method and application thereof | 2021-03-09 |
| WO-2021244609-A1 | Compound having macrocyclic structure and use thereof | 2020-06-04 |
| CN-113549010-A | Preparation and application of compound with AMPK agonistic activity and prodrug thereof | 2020-04-26 |
| KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 2020-03-31 |
| KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 2020-03-31 |
| CN-111808057-A | Suzuki reaction using alpha-O-alkenylsulfone as electrophile and use thereof | 2019-04-10 |
| CN-111808089-A | Preparation method of drug eprogliflozin for treating diabetes or derivative thereof | 2019-04-10 |
| WO-2020130214-A1 | Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof | 2018-12-19 |
| KR-20200076808-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 2018-12-19 |
| KR-102128509-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 2018-12-19 |
