[2-Amino-4-(methoxycarbonyl)phenyl]boronic acid hydrochloride (1:1)

Basic Information

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CAS Number

380430-55-7

Molecular Formula

C8H11BClNO4

Molecular Weight

231.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

180°C

SMILES

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B(C1=C(C=C(C=C1)C(=O)OC)N)(O)O.Cl

InChI

InChI=1S/C8H10BNO4.ClH/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5;/h2-4,12-13H,10H2,1H3;1H

InChIKey

IDUSDMZTKZZVAW-UHFFFAOYSA-N

LogP

-0.8430000000000002

Topological Polar Surface Area

92.78 Å²

Hydrogen Bond Donor/Acceptor

4 / 5

Complexity

212

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

J-513760
Z3234877885
SCHEMBL629029
2-AMINO-4-(METHOXYCARBONYL)BENZENEBORONIC ACID HYDROCHLORIDE
2-Amino-4-(methoxycarbonyl)phenylboronic Acid Hydrochloride (contains varying amounts of Anhydride)
(2-amino-4-methoxycarbonylphenyl)boronic acid;hydrochloride
AKOS015890427
AM62769
2-amino-4-(methoxycarbonyl)phenylboronic acid hydrochloride
2-amino-4-methoxycarbonylphenyl-boronic acid hydrochloride salt
2-amino-4-(methoxycarbonyl)phenyl-boronic acid hydrochloride
CS-0041821
(2-AMINO-4-METHOXYCARBONYLPHENYL)BORONIC ACID HYDROCHLORIDE
A823979
[2-amino-4-(methoxycarbonyl)phenyl]boronic acid hydrochloride,[2-amino-4-(methoxycarbonyl)phenyl]boronic acid
(2-AMINO-4-METHOXYCARBONYLPHENYL)BORONIC ACID HCL
Benzoic acid, 3-amino-4-borono-, 1-methyl ester, hydrochloride (1:1)
SY102534
2-Amino-4-methoxycarbonylphenylboronic acid, HCl
[2-amino-4-(methoxycarbonyl)phenyl]boronic acid hydrochloride
2-amino-4-methoxycarbonylphenylboronic acid hydrochloride salt
(2-Amino-4-(methoxycarbonyl)phenyl)boronicacidhydrochloride
Benzoicacid, 3-amino-4-borono-, 1-methyl ester, hydrochloride (1:1)
H10637
EN300-7358569
MFCD02258941
AB11700
2-Amino-4-methoxycarbonylphenylboronic acid HCl
2-Amino-4-methoxycarbonylphenylboronic.HCl
METHYL 3-AMINO-4-BORONOBENZOATE HYDROCHLORIDE
GS-5648

MDL Number

MFCD02258941

Customs Code

2931900090

FAQ

What are the physical and chemical properties of [2-Amino-4-(methoxycarbonyl)phenyl]boronic acid hydrochloride (CAS: 380430-55-7)?

This compound is a crystalline solid with a molecular weight of approximately 313.5 g/mol. It has a solubility of about 1.5 g/L in water. Chemically, it is reactive towards nucleophiles and forms stable complexes with metal ions. It is hydrolytically stable but should be stored below 30°C to prevent degradation.

How is [2-Amino-4-(methoxycarbonyl)phenyl]boronic acid hydrochloride (CAS: 380430-55-7) typically synthesized?

It is synthesized via a multi-step process involving the protection of an amine group, subsequent esterification, and finally the formation of the boronic acid derivative. Commonly used catalysts include palladium(II) acetate and triphenylphosphine. The yield is typically around 85-90%. This method ensures high selectivity and good purity.

What industries use [2-Amino-4-(methoxycarbonyl)phenyl]boronic acid hydrochloride (CAS: 380430-55-7)?

This compound is used in the pharmaceutical industry for the synthesis of drug molecules, particularly those involving boronate esters. It is also utilized in polymer chemistry for the modification of boronic acid functionalities, and in the semiconductor industry for the production of advanced materials with specific optical and electronic properties.

What precautions should be taken when handling [2-Amino-4-(methoxycarbonyl)phenyl]boronic acid hydrochloride (CAS: 380430-55-7)?

When handling this compound, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that all work is done in a well-ventilated fume hood to avoid inhalation of dust. Spills should be handled using absorbent materials and carefully disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.