4-(4-Isopropyl-1-piperazinyl)phenol

Basic Information

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CAS Number

67914-97-0

Molecular Formula

C13H20N2O

Molecular Weight

220.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

White to Yellow Solid

SMILES

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CC(C)N1CCN(CC1)C2=CC=C(C=C2)O

InChI

InChI=1S/C13H20N2O/c1-11(2)14-7-9-15(10-8-14)12-3-5-13(16)6-4-12/h3-6,11,16H,7-10H2,1-2H3

InChIKey

BMBPGRMBBHKAEP-UHFFFAOYSA-N

LogP

1.9225999999999999

Topological Polar Surface Area

26.71 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

204

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

Synonyms & References

English

CHEMBL1392389
CS-0171963
CHEBI:116817
Q27203037
AN-907/14236005
NCGC00247233-01
EINECS 267-750-0
Oprea1_105016
DTXSID70867400
HMS2549J12
AKOS015968317
NS00056270
PD014294
FT-0641153
4-(4-Isopropyl-piperazin-1-yl)-phenol
MLS000698522
Z104658148
MFCD02071478
4-(4-propan-2-yl-1-piperazinyl)phenol
1-ISOPROPYL-4-(4-HYDROXYPHENYL)PIPERAZINE
4-[4-(propan-2-yl)piperazin-1-yl]phenol
4-(4-isopropylpiperazin-1-yl)phenol
BMBPGRMBBHKAEP-UHFFFAOYSA-N
4-(4-isopropylpiperazin-1-yl)phenol;4-(4-ISOPROPYL-PIPERAZIN-1-YL)-PHENOL
AS-37937
4-(4-isopropyl-1-piperazinyl)phenol
p-(4-Isopropyl-1-piperazinyl)phenol
67914-97-0
SMR000231667
4-(4-propan-2-ylpiperazin-1-yl)phenol
A835936

MDL Number

MFCD02071478

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 4-(4-Isopropyl-1-piperazinyl)phenol (CAS: 67914-97-0)?

4-(4-Isopropyl-1-piperazinyl)phenol (CAS: 67914-97-0) is a white crystalline solid. Its molecular weight is approximately 277.46 g/mol. The compound is sparingly soluble in water but soluble in organic solvents like ethanol and acetone. It is moderately reactive, showing limited reactivity with common acids and bases. It has a melting point of 184-186°C. It is stable under normal storage conditions but should be protected from strong oxidizing agents.

How is 4-(4-Isopropyl-1-piperazinyl)phenol (CAS: 67914-97-0) typically synthesized?

4-(4-Isopropyl-1-piperazinyl)phenol (CAS: 67914-97-0) can be synthesized via a multi-step process starting from p-toluidine and 4-hydroxypiperidine. The synthesis involves a condensation reaction followed by an isopropylation step. Commonly, potassium carbonate is used as a base, and the reaction is typically carried out in an organic solvent like tetrahydrofuran (THF). The yield is around 75-80%, and the reaction is known for its good selectivity and moderate to high purity.

What industries use 4-(4-Isopropyl-1-piperazinyl)phenol (CAS: 67914-97-0)?

4-(4-Isopropyl-1-piperazinyl)phenol (CAS: 67914-97-0) is primarily used in the pharmaceutical industry, particularly in the development of certain antipsychotic medications. It is also used in the formulation of some topical analgesics. Additionally, it has potential applications in the polymer industry for creating specialized materials and in the chemical sensor industry for gas detection.

What precautions should be taken when handling 4-(4-Isopropyl-1-piperazinyl)phenol (CAS: 67914-97-0)?

When handling 4-(4-Isopropyl-1-piperazinyl)phenol (CAS: 67914-97-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be handled in a well-ventilated area or under a fume hood. In case of a spill, immediate action should be taken to contain it using absorbent materials and the area should be cleaned with care. Always consult the Material Safety Data Sheet (MSDS/SDS) for detailed safety information and emergency procedures.