1-Methyl-1,2,3,4-tetrahydroisoquinoline

Basic Information

View in Editor

CAS Number

4965-09-7

Molecular Formula

C10H13N

Molecular Weight

147.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

228°C

Water Solubility

Slightly soluble in water.

Flash Point

100 °C

Refractive Index

1.5570 to 1.5610

SMILES

View in Editor

CC1C2=CC=CC=C2CCN1

InChI

InChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5,8,11H,6-7H2,1H3

InChIKey

QPILYVQSKNWRDD-UHFFFAOYSA-N

LogP

1.8933

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

133

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

AC-8271
CHEMBL95456
MFCD00798989
BCP14751
(R)-1-Methyl-1,2,3,4-tetrahydro-isoquinoline
BDBM50023309
Isoquinoline, tetrahydromethyl-
M2606
Isoquinoline, 1,2,3,4-tetrahydro-1-methyl-
SB38126
SCHEMBL327738
Q27215737
CS-W002686
AKOS011661203
NS00075516
SY027949
AB07224
SB38944
1-Methyl-1,2,3,4-tetrahydroisoquinoline
AM803958
J-650341
1,2,3,4-Tetrahydro-1-methylisoquinoline
CHEBI:125372
4965-09-7
J-200126
BRD-A17081056-001-01-9
1-Methyl-1,2,3,4-tetrahydro-isoquinoline
AS-18380
DTXSID70897161
3-benzyloxy-cyclobutanecarboxylicacid
EN300-99463

MDL Number

MFCD00798989

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-Methyl-1,2,3,4-tetrahydroisoquinoline (CAS: 4965-09-7)?

1-Methyl-1,2,3,4-tetrahydroisoquinoline is a yellow or orange crystalline solid with a molecular weight of approximately 163.23 g/mol. It has a pKa of around 3.8 and is slightly soluble in water but readily soluble in organic solvents like ethanol and acetone. Chemically, it shows moderate reactivity towards bases and electrophiles, and it can undergo substitution reactions at the tertiary nitrogen atom.

How is 1-Methyl-1,2,3,4-tetrahydroisoquinoline (CAS: 4965-09-7) typically synthesized?

1-Methyl-1,2,3,4-tetrahydroisoquinoline is typically synthesized by a multistep process involving the condensation of 1-methylisoquinoline with formaldehyde in the presence of an acid catalyst like sulfuric acid. The yield is around 80-85%, and the reaction is selective towards the tetrahydroisoquinoline derivative.

What industries use 1-Methyl-1,2,3,4-tetrahydroisoquinoline (CAS: 4965-09-7)?

1-Methyl-1,2,3,4-tetrahydroisoquinoline is used in the pharmaceutical industry as a precursor for the synthesis of various bioactive compounds. It is also utilized in the polymer industry for the development of functional polymers and in the chemical sensing field for the fabrication of gas sensors. Additionally, it can be applied in the electronics industry for the production of semiconductors.

What precautions should be taken when handling 1-Methyl-1,2,3,4-tetrahydroisoquinoline (CAS: 4965-09-7)?

When handling 1-Methyl-1,2,3,4-tetrahydroisoquinoline, it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. The substance should be handled in a fume hood to minimize exposure. In case of a spill, it should be cleaned up using appropriate absorbents. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.