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

Basic Information

View in Editor

CAS Number

78183-55-8

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

Physical State

White to Yellow Solid

SMILES

View in Editor

COC(=O)C1CC2=CC=CC=C2CN1.Cl

InChI

InChI=1S/C11H13NO2.ClH/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10;/h2-5,10,12H,6-7H2,1H3;1H/t10-;/m0./s1

InChIKey

BUXCBOUGBHWQBE-PPHPATTJSA-N

LogP

1.2956999999999999

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

217

Safety Information

View Safety Information

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

(s)-methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
AC-29418
Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate--hydrogen chloride (1/1)
(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid methyl ester hydrochloride
methyl 1,2,3,4-tetrahydro-isoquinoline-3(s)-carboxylate hydrochloride
AS-39130
(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid methyl ester, HCl
DTXSID80972534
BUXCBOUGBHWQBE-PPHPATTJSA-N
A8147
EN300-7406315
Methyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate hydrochloride (1:1)
Methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Hydrochloride
AKOS024258755
3-Isoquinolinecarboxylicacid,1,2,3,4-tetrahydro-,methyl ester,hydrochloride(1:1),(3S)-
methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochloride
SCHEMBL10749367
(S)-Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate HCl
Z1741961026
A865083
Methyl (S)-1 pound not2 pound not3 pound not4-Tetrahydroisoquinoline-3-carboxylate Hydrochloride
78183-55-8
(3S)-methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
L-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER HCL
MFCD05861484
Methyl (S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylate Hydrochloride
(S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLICACID METHYL ESTER HYDROCHLORIDE
(S)-Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, methyl ester, hydrochloride (1:1), (3S)-
methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate,hydrochloride
(S)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid methyl ester hydrochloride

MDL Number

MFCD05861484

FAQ

What are the physical and chemical properties of Methyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate hydrochloride (CAS: 78183-55-8)?

Methyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate hydrochloride is a white crystalline solid with a molecular weight of approximately 262.74 g/mol. It has a high solubility in organic solvents but is poorly soluble in water. The compound is moderately reactive and should be handled under an inert atmosphere to prevent decomposition. It is stable at room temperature but may hydrolyze over time.

How is Methyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate hydrochloride (CAS: 78183-55-8) typically synthesized?

Methyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate hydrochloride is synthesized through a multistep process involving alkylation and subsequent condensation reactions. Commonly, methyl iodide is used as the alkylating agent, and HCl is added to protonate the intermediate. The synthesis involves controlled conditions to achieve high yield and purity, often requiring the use of azeotropic distillation to remove by-products.

What industries use Methyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate hydrochloride (CAS: 78183-55-8)?

Methyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate hydrochloride is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds application in the production of various organic compounds and as a reagent in chemical research. Additionally, it can be used in the development of sensors and as a component in some polymer formulations.

What precautions should be taken when handling Methyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate hydrochloride (CAS: 78183-55-8)?

When handling Methyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate hydrochloride, it is important to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation of fumes. Spills should be carefully cleaned up using appropriate absorbent materials, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.