(3S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid | CAS No. 103733-66-0

(3S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid

Basic Information

CAS Number

103733-66-0

Molecular Formula

C12H15NO4

Molecular Weight

237.26 g/mol

AD

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

434.8°C at 760 mmHg

COC1=C(C=C2CNC(CC2=C1)C(=O)O)OC

InChI

InChI=1S/C12H15NO4/c1-16-10-4-7-3-9(12(14)15)13-6-8(7)5-11(10)17-2/h4-5,9,13H,3,6H2,1-2H3,(H,14,15)/t9-/m0/s1

InChIKey

BWYXEHBJIMGDEB-VIFPVBQESA-N

LogP

0.8027

Topological Polar Surface Area

67.79 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

284

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H320 Causes eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • CS-0053967
  • DTXSID401161126
  • 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (S)-
  • (S)-1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline-3-carboxylic acid
  • 962K79T8SA
  • (s)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid
  • 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (-)-
  • 3-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-, (3S)-
  • 6,7-Dimethoxy-L-1,2,3,4-tetrahydroisoquinoline 3-carboxylic acid hydrochloride
  • AKOS000321189
  • (S)-1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline-3-carboxylicacid
  • SCHEMBL4464347
  • AS-35407
  • 905847-63-4
  • (3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic Acid
  • (s)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
  • Q27271851
  • 6,7-Dimethoxy-(S)-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylic Acid
  • 1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid, (3S)
  • MFCD06796546
  • 103733-66-0
  • J-001030
  • UNII-962K79T8SA
  • (s)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
  • (S)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
  • 6,7-Dimethoxy-L-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride
  • (3S)-
  • (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
  • (S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
  • (S)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID HYDROCHLORIDE
  • 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-car

MDL Number

MFCD06796546

FAQ

What are the physical and chemical properties of (3S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid (CAS: 103733-66-0)?

(3S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid is a crystalline solid with a molecular weight of 228.17 g/mol. It has a solubility of 14.5 mg/mL in water and is slightly soluble in common organic solvents. This compound exhibits good stability under normal conditions but is susceptible to hydrolysis under acidic or basic conditions.

How is (3S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid (CAS: 103733-66-0) typically synthesized?

(3S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid is often synthesized via the condensation of 6,7-dimethoxyisoquinoline and acetic anhydride, using a Lewis acid as a catalyst. The yield is typically around 75-80%, with good selectivity towards the desired product.

What industries use (3S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid (CAS: 103733-66-0)?

(3S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid is primarily used in the pharmaceutical industry for the synthesis of drug intermediates. It also finds applications in the production of certain dyes and as a chemical reagent in organic synthesis.

What precautions should be taken when handling (3S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid (CAS: 103733-66-0)?

When handling (3S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. Ensure that all handling is done in a well-ventilated area or a fume hood to avoid inhalation. 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 safety information.

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