Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate hydrochloride (1:1)

Basic Information

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CAS Number

877861-62-6

Molecular Formula

C11H14ClNO2

Molecular Weight

227.69 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

360.5°C at 760 mmHg

Flash Point

171.8°C

SMILES

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Cl.COC(=O)c1ccc2CNCCc2c1

InChI

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

InChIKey

YQROFCVHUWWCQO-UHFFFAOYSA-N

LogP

1.5407

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

217

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

Methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate hydrochloride
1,2,3,4-TETRAHYDRO-ISOQUINOLINE-6-CARBOXYLIC ACID METHYL ESTER HCL
6-Isoquinolinecarboxylic acid
6-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester, hydrochloride
5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE-2-CARBOXYLATE
Methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate-HCl
1,2,3,4-Tetrahydro-isoquinoline-6-carboxylic acid methyl ester hydrochloride
methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate hydrochloride
6-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester, hydrochloride (9CI)
6-Methoxycarbonyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate hydrochloride

MDL Number

MFCD03094737

Customs Code

2933499090

FAQ

What is Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate hydrochloride (CAS: 877861-62-6)?

Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate hydrochloride (CAS: 877861-62-6) is a hydrochloride salt of methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate. It is a white to off-white powder with a molecular formula of C12H16N2O3·HCl and a molecular weight of approximately 244.7 g/mol. This compound is soluble in water and has a pKa of about 3.5.

What are the main uses of Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate hydrochloride (CAS: 877861-62-6)?

Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate hydrochloride (CAS: 877861-62-6) is primarily used as an intermediate in the synthesis of pharmaceuticals, particularly in the development of new drug candidates. It is also used in the research and development of novel compounds with potential therapeutic applications.

Is Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate hydrochloride (CAS: 877861-62-6) safe?

Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate hydrochloride (CAS: 877861-62-6) is generally considered safe when handled with appropriate precautions. It is important to store it in a cool, dry place away from heat and direct sunlight, and to avoid contact with skin and eyes. Protective gloves and safety glasses should be worn during handling.

How should Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate hydrochloride (CAS: 877861-62-6) be stored?

Methyl 1,2,3,4-tetrahydro-6-isoquinolinecarboxylate hydrochloride (CAS: 877861-62-6) should be stored in a tightly sealed container in a cool, dry place, ideally at a temperature range of 15-25°C. It should be kept away from heat, moisture, and direct sunlight. Adequate ventilation should be provided to prevent any accumulation of vapors.