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3-(N-Ethylamino)phenylboronic acid

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Name

3-(N-Ethylamino)phenylboronic acid

EINECS N/A
CAS No. 267660-71-9 Density 1.119 g/cm3
PSA 52.49000 LogP -0.12880
Solubility N/A Melting Point N/A
Formula C8H12BNO2 Boiling Point 366.01 °C at 760 mmHg
Molecular Weight 165 Flash Point 175.157 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 267660-71-9 (3-ETHYLAMINOPHENYLBORONIC ACID) Hazard Symbols N/A
Synonyms

3-(N-Ethylamino)phenylboronic acid;

Article Data 1

3-(N-Ethylamino)phenylboronic acid Specification

The 3-(N-Ethylamino)phenylboronic acid, with the CAS registry number 267660-71-9, is also known as 3-(N-Ethylamino)phenylboronic acid. This chemical's molecular formula is C8H12BNO2 and molecular weight is 164.9974. What's more, both its IUPAC name and systematic name are the same which is called [3-(Ethylamino)phenyl]boronic acid.

Physical properties about 3-(N-Ethylamino)phenylboronic acid are: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 151; (8)ACD/KOC (pH 7.4): 137; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.49 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 46.195 cm3; (15)Molar Volume: 147.498 cm3; (16)Polarizability: 18.313×10-24 cm3; (17)Surface Tension: 43.279 dyne/cm; (18)Density: 1.119 g/cm3; (19)Flash Point: 175.157 °C; (20)Enthalpy of Vaporization: 64.609 kJ/mol; (21)Boiling Point: 366.01 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 3-(N-Ethylamino)phenylboronic acid: this chemical can be prepared by Acetic acid-(3-dihydroxyboranyl-anilide). This reaction needs reagent BH3*Me2S and solvent Tetrahydrofuran at temperature of 60 °C. The reaction time is 6 hours. The yield is 71.6 %.

3-(N-Ethylamino)phenylboronic acid can be prepared by Acetic acid-(3-dihydroxyboranyl-anilide)

Use of 3-(N-Ethylamino)phenylboronic acid: it is used to produce other chemicals. For example, it is used to produce (3-[1,3,2]Dioxaborinan-2-yl-phenyl)-ethyl-amine. The reaction occurs with solvent Toluene and other condition of heating for 14 hours. The yield is 100 %.

3-(N-Ethylamino)phenylboronic acid is used to produce (3-[1,3,2]Dioxaborinan-2-yl-phenyl)-ethyl-amine

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1cccc(NCC)c1
(2) InChI: InChI=1/C8H12BNO2/c1-2-10-8-5-3-4-7(6-8)9(11)12/h3-6,10-12H,2H2,1H3
(3) InChIKey: AMEXHZJCEDVHMK-UHFFFAOYAS

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