4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Basic Information

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CAS Number

214360-73-3

Molecular Formula

C12H18BNO2

Molecular Weight

219.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

166.0 to 170.0 deg-C

Boiling Point

340°C at 760 mmHg

Flash Point

159.4℃

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,14H2,1-4H3

InChIKey

ZANPJXNYBVVNSD-UHFFFAOYSA-N

LogP

1.5679999999999998

Topological Polar Surface Area

44.480000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

244

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-Aminophenylboronic acid pinacol ester
4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-aniline
4-(4,4,5,5-tetramethyl-1,3-dioxaborolan-2-yl)aniline
1-hydroperoxy-8-carboxyoctyl-3,4-epoxynon-(2E)-enyl-ether
AKOS005255073
ZANPJXNYBVVNSD-UHFFFAOYSA-N
214360-73-3
T1951
4-Aminophenylboronic acid, pinacol ester
4-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
4-aminophenylboronic acid pinacolate
4-aminobenzeneboronic acid pinacol ester
4-(4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl)aniline
4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
BCP03638
HY-75597
-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
4-(4,4,5,5-tetramethyl[1.3.2]dioxaborolan-2-yl)phenylamine
4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenylamine
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine
4-aminophenyl boronic pinacol ester
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
AM20030349
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzenamine
PD131306
[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amine
4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)aniline
SY002377
4-aminobenzeneboronic acid, pinacol ester
AC-6954
PB19964

MDL Number

MFCD02093721

Customs Code

2931900090

FAQ

What are the physical and chemical properties of 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 214360-73-3)?

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 214360-73-3) is a white crystalline powder. It has a molecular weight of approximately 330.4 g/mol. This compound is slightly soluble in water but freely soluble in organic solvents like ethanol and acetone. It is reactive towards electrophiles and can participate in Suzuki coupling reactions.

How is 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 214360-73-3) typically synthesized?

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 214360-73-3) is synthesized by the boronic ester method, typically involving the reaction of an aryl halide or tosylate with a boronic acid in the presence of a base like sodium carbonate or potassium carbonate, and a palladium catalyst such as Pd(PPh3)2. The yield is usually high, around 80-90%.

What industries use 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 214360-73-3)?

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 214360-73-3) is primarily used in the pharmaceutical industry for the synthesis of drug intermediates. It is also utilized in the polymer industry for the production of advanced materials and in the sensor and semiconductor industries for specialized applications.

What precautions should be taken when handling 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 214360-73-3)?

When handling 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 214360-73-3), ensure the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate methods and materials. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.