2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine

Basic Information

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CAS Number

3605-01-4

Molecular Formula

C16H18N4O2

Molecular Weight

298.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

96.0 to 100.0 deg-C

Boiling Point

469.4°C at 760 mmHg

Refractive Index

1.6000 (estimate)

SMILES

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C(N1CCN(CC1)c2ncccn2)c3ccc4OCOc4c3

InChI

InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2

InChIKey

OQDPVLVUJFGPGQ-UHFFFAOYSA-N

LogP

1.5274999999999992

Topological Polar Surface Area

50.72000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

356

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 in mice (mg/kg): 88 i.v., 690 i.p., 1460 orally (Laubie)

Synonyms & References

English

2-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)pyrimidine
2[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl-]pyrimidine
Piribendyl
Piribedil
2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine
ET 495
EU-4200
Piribedile [DCIT]
Piribedilum [INN-Latin]
Trivastal
Trivastan
2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine
EU 4200
Piribedil [INN:DCF]
DO22K1PRDJ
1-(2-Pyrimidyl)-4-piperonylpiperazine
2-(4-Piperonyl-1-piperazinyl)pyrimidine
Pyrimidine, 2-(4-piperonyl-1-piperazinyl)-
Pyrimidine, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-
OQDPVLVUJFGPGQ-UHFFFAOYSA-N
2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)pyrimidine

MDL Number

MFCD00868264

Customs Code

2934999090

FAQ

What is 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine (CAS: 3605-01-4)?

2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine (CAS: 3605-01-4) is a chemical compound with potential pharmaceutical applications. It is a combination of a pyrimidine ring and a piperazine derivative linked to a 1,3-benzo-dioxole moiety.

What are the main uses of 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine (CAS: 3605-01-4)?

2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine (CAS: 3605-01-4) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It can also be studied in research for various biological activities.

Is 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine (CAS: 3605-01-4) safe?

2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine (CAS: 3605-01-4) is generally safe when handled with proper precautions. It is important to follow safety guidelines, including wearing appropriate personal protective equipment (PPE) and storing in a cool, dry place away from direct sunlight.

How should 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine (CAS: 3605-01-4) be stored?

2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine (CAS: 3605-01-4) should be stored in a cool, dry place, protected from light and moisture. Keep the container tightly sealed and store away from incompatible materials and ignition sources. It is advisable to store at room temperature (15-25°C).