1,2,3,4-Tetrahydro-2-quinolinylmethanol

Basic Information

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CAS Number

40971-36-6

Molecular Formula

C10H13NO

Molecular Weight

163.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

327.7°C at 760 mmHg

SMILES

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OCC1CCC2=C(N1)C=CC=C2

InChI

InChI=1S/C10H13NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-4,9,11-12H,5-7H2

InChIKey

QSDYZRIUFBMUGV-UHFFFAOYSA-N

LogP

1.4056

Topological Polar Surface Area

32.26 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

149

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

1,2,3,4-tetrahydro-2-Quinolinemethanol
1,2,3,4-tetrahydroquinolin-2-ylmethanol
(1,2,3,4-tetrahydro-quinolin-2-yl)-methanol
(1,2,3,4-Tetrahydroquinolin-2-yl)methanol
1,2,3,4-tetrahydro-2-quinolinylmethanol
2-hydroxymethyl-1,2,3,4-tetrahydroquinoline-2-carboxylate
2-hydroxymethyltetrahydroquinoline
2-Quinolinemethanol,1,2,3,4-tetrahydro
2-Hydroxymethyl-1,2,3,4-tetrahydroquinoline
2-Quinolinemethanol, 1,2,3,4-tetrahydro-
QSDYZRIUFBMUGV-UHFFFAOYSA-N
X7072

MDL Number

MFCD13184074

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 1,2,3,4-Tetrahydro-2-quinolinylmethanol (CAS: 40971-36-6)?

1,2,3,4-Tetrahydro-2-quinolinylmethanol is a white crystalline solid at room temperature. Its molecular weight is approximately 242.31 g/mol. It has a low solubility in water (0.16 g/100 mL) but is more soluble in organic solvents like ethanol and acetone. It is moderately reactive, especially towards bases and nucleophiles, and can undergo nucleophilic substitution reactions.

How is 1,2,3,4-Tetrahydro-2-quinolinylmethanol (CAS: 40971-36-6) typically synthesized?

1,2,3,4-Tetrahydro-2-quinolinylmethanol can be synthesized by the reduction of 2-quinolinone with a reducing agent like sodium borohydride. The reaction is typically carried out in a polar aprotic solvent like tetrahydrofuran (THF) at low temperatures. The yield is usually around 80-85%, and the product can be purified by recrystallization.

What industries use 1,2,3,4-Tetrahydro-2-quinolinylmethanol (CAS: 40971-36-6)?

1,2,3,4-Tetrahydro-2-quinolinylmethanol is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those involving quinoline derivatives. It also has applications in the polymer industry as a monomer or additive. Additionally, it is used in the development of chemical sensors and in the production of semiconductors.

What precautions should be taken when handling 1,2,3,4-Tetrahydro-2-quinolinylmethanol (CAS: 40971-36-6)?

When handling 1,2,3,4-Tetrahydro-2-quinolinylmethanol, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be cleaned up immediately using appropriate absorbent materials. It is advisable to work in a fume hood to minimize inhalation risks. Always consult the Material Safety Data Sheet (MSDS) for detailed handling and safety information.