2-Cyanophenylboronic Acid Pinacol Ester
Product Information
Molecular Formula
C13H16NO2B
Molecular Weight
229.08
Description
2-Cyanophenylboronic Acid Pinacol Ester (CAS# 214360-48-2) is a useful research chemical.
Synonyms
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile; 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
IUPAC Name
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C#N
InChI
InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-8H,1-4H3
InChI Key
SKQNWSBNAIOCOC-UHFFFAOYSA-N
Boiling Point
357.1 °C at 760 mmHg
Melting Point
85-90 °C
Flash Point
Not applicable
Purity
97 %
Density
1.06 g/cm3
LogP
1.85748
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word
Danger
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
229.1274089 g/mol
Monoisotopic Mass
229.1274089 g/mol
Topological Polar Surface Area
42.2Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
329
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 |
|---|---|---|
| KR-20210061202-A | Benzonitrile-substituted Fused pyrimidine derivatives and their pharmaceutical use | 2019-11-19 |
| WO-2020223255-A1 | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 2019-04-29 |
| TW-202106669-A | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 2019-04-29 |
| AU-2020266529-A1 | 3-amino-4H-benzo[E][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of MRGX2 | 2019-04-29 |
| CN-114072393-A | 3-amino-4H-benzo [ E ] [1,2,4] thiadiazine 1, 1-dioxide derivatives as MRGX2 inhibitors | 2019-04-29 |
| EP-3962901-A1 | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 2019-04-29 |
| KR-20220012244-A | 3-Amino-4H-benzo[E][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of MRGX2 | 2019-04-29 |
| US-2020197391-A1 | Compounds that participate in cooperative binding and uses thereof | 2018-12-21 |
| WO-2020132597-A1 | Compounds that participate in cooperative binding and uses thereof | 2018-12-21 |
| AU-2019401466-A1 | Compounds that participate in cooperative binding and uses thereof | 2018-12-21 |
