Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate

Basic Information

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CAS Number

185057-00-5

Molecular Formula

C11H13NO2

Molecular Weight

191.23 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

330.2 °C at 760 mmHg

Flash Point

153.5 °C

SMILES

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COC(=O)C1=CC2=C(CNCC2)C=C1

InChI

InChI=1S/C11H13NO2/c1-14-11(13)9-2-3-10-7-12-5-4-8(10)6-9/h2-3,6,12H,4-5,7H2,1H3

InChIKey

QFGFDECCVRJKHK-UHFFFAOYSA-N

LogP

1.1189

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

217

Synonyms & References

English

AKOS006331146
DTXSID00652386
PB10645
FT-0716215
CS-0448948
METHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLATE
SY235995
QFGFDECCVRJKHK-UHFFFAOYSA-N
A812916
F51533
185057-00-5
Methyl1,2,3,4-tetrahydroisoquinoline-6-carboxylate
AS-48580
SCHEMBL1035136
1,2,3,4-TETRAHYDRO-ISOQUINOLINE-6-CARBOXYLIC ACID METHYL ESTER
EN300-268772
1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid methyl ester
MFCD09038210
6-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-, METHYL ESTER
Methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate
6-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester
Methyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
methyl 1,2,3,4-tetrahydro-isoquinoline-6-carboxylate
1,2,3,4-tetrahydroisoquinoline-6-carboxylate
1,2,3,4-tetrahydroisoquinoline-6-carboxylate hydrochloride
6-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, Methyl ester
4186AJ
NE64535
methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate

MDL Number

MFCD09038210

Customs Code

2933499090

FAQ

What are the physical and chemical properties of Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate (CAS: 185057-00-5)?

Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate (CAS: 185057-00-5) is a solid crystalline compound with a molecular weight of approximately 227.23 g/mol. It is soluble in organic solvents such as ethanol and acetone. This compound is relatively stable under normal conditions but can undergo hydrolysis in acidic or basic media. Care must be taken when handling due to its potential reactivity.

How is Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate (CAS: 185057-00-5) typically synthesized?

Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate (CAS: 185057-00-5) can be synthesized through a multi-step reaction starting with 6-isoquinolinecarboxylic acid. This involves esterification with methanol under mild conditions using a catalytic amount of a strong acid like sulfuric acid. The yield and selectivity are typically high, making this a reliable method for preparing this compound.

What industries use Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate (CAS: 185057-00-5)?

Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate (CAS: 185057-00-5) is used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in the polymer industry for developing functional materials. Additionally, it is used in the production of sensors and in semiconductor applications due to its chemical and physical properties.

What precautions should be taken when handling Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate (CAS: 185057-00-5)?

When handling Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate (CAS: 185057-00-5), proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It is advisable to work in a fume hood to minimize exposure. Spills should be cleaned up immediately with appropriate absorbent materials. Always refer to the safety data sheet (SDS) for detailed handling and emergency procedures.