Methyl 5-isoindolinecarboxylate hydrochloride (1:1)

Basic Information

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CAS Number

127168-93-8

Molecular Formula

C10H12ClNO2

Molecular Weight

213.66 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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Cl.COC(=O)c1ccc2CNCc2c1

InChI

InChI=1S/C10H11NO2.ClH/c1-13-10(12)7-2-3-8-5-11-6-9(8)4-7;/h2-4,11H,5-6H2,1H3;1H

InChIKey

UCJNRYHJEDJKAI-UHFFFAOYSA-N

LogP

1.4982

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

205

Synonyms & References

English

Methyl isoindoline-5-carboxylate hydrochloride
methyl 2,3-dihydro-1H-isoindole-5-carboxylate,hydrochloride
2,3-Dihydro-1H-isoindole-5-carboxylic acid methyl ester monohydrochloride
5-(Methoxycarbonyl)isoindoline hydrochloride
Methyl isoindoline-5-carboxylate HCl
Methyl 5-isoindolinecarboxylate hydrochloride (1:1)
2-((benzyloxy)carbonyl)isoindoline-5-carboxylic acid
2,3-Dihydro-1H-isoindole-5-carboxylic acid methyl ester hydrochloride
methyl 2,3-dihydro-1H-isoindole-5-carboxylate hydrochloride
1H-Isoindole-5-carboxylic acid, 2,3-dihydro-, methyl ester, hydrochloride (1:1)
AMOT0034
UCJNRYHJEDJKAI-UHFFFAOYSA-N
SC4430
RL01354
MB08786
CM10605
5-methoxycarbony
methyl isoindoline-5-carboxylate;hydrochloride

MDL Number

MFCD10699381

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Methyl 5-isoindolinecarboxylate hydrochloride (CAS: 127168-93-8)?

Methyl 5-isoindolinecarboxylate hydrochloride (CAS: 127168-93-8) is a crystalline compound with a molecular weight of approximately 241.7 g/mol. It is slightly soluble in water and more soluble in common organic solvents. Chemically, it is reactive towards bases and shows good stability in acidic conditions. It is commonly used in organic synthesis and pharmaceutical applications.

How is Methyl 5-isoindolinecarboxylate hydrochloride (CAS: 127168-93-8) typically synthesized?

Methyl 5-isoindolinecarboxylate hydrochloride (CAS: 127168-93-8) is typically synthesized through the reaction of 5-isoindolinecarboxylic acid with methyl alcohol in the presence of hydrochloric acid. The reaction involves esterification and salt formation, yielding the target compound with good selectivity and yield.

What industries use Methyl 5-isoindolinecarboxylate hydrochloride (CAS: 127168-93-8)?

Methyl 5-isoindolinecarboxylate hydrochloride (CAS: 127168-93-8) is widely used in the pharmaceutical industry for drug synthesis and as an intermediate in polymer and semiconductor manufacturing. It is also employed in the development of sensors and other advanced materials.

What precautions should be taken when handling Methyl 5-isoindolinecarboxylate hydrochloride (CAS: 127168-93-8)?

When handling Methyl 5-isoindolinecarboxylate hydrochloride (CAS: 127168-93-8), ensure proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation of vapors. Follow standard laboratory safety protocols, and keep the material away from heat sources. In case of spill, neutralize with a basic solution and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.