5-Butyl-2-(ethylamino)-6-methyl-4-pyrimidinol

Basic Information

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CAS Number

23947-60-6

Molecular Formula

C11H19N3O

Molecular Weight

209.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

159-160°C

Boiling Point

348.66°C (rough estimate)

Flash Point

139 °C

Refractive Index

1.5700 (estimate)

SMILES

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CCCCC1=C(N=C(NC1=O)NCC)C

InChI

InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)

InChIKey

BBXXLROWFHWFQY-UHFFFAOYSA-N

LogP

2.26502

Topological Polar Surface Area

58.040000000000006 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

305

Safety Information

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GHS Hazard Pictograms

H312

Hazard Statement

H312 Harmful in contact with skin
Acute toxicity, dermal

Toxicity

LD50 orally in rats: 4000 mg/kg (Bebbington)

Synonyms & References

English

Milstem seed dressing
PP149
Milcurb super
C18828
FT-0630507
Ethirimol, PESTANAL(R), analytical standard
MILSTEM
UNII-ZFF86Y4NA6
NSC263491
PP-149
NCGC00255983-01
CAS-23947-60-6
D93193
Ethirimol
PP 149
5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
EPA Pesticide Chemical Code 228900
5-Butyl-2-(ethylamino)-6-methyl-4-pyrimidinol
Ethrimiol
ETH-560
5-Butyl-2-ethylamino-4-hydroxy-6-methylpyrimidine
Ethirimal
5-Butyl-2-(ethylamino)-4-hydroxy-6-methylpyrimidine
5-butyl-2-ethylamino-6-methylpyrimidin-4-ol
NSC 263491
J-520458
Ethirimol [ISO]
4(3H)-Pyrimidinone, 5-butyl-2-(ethylamino)-6-methyl-
DTXSID6041927
MILSTEM (ZENECA)
23947-60-6

MDL Number

MFCD00055519

Customs Code

2933599018

FAQ

What are the physical and chemical properties of 5-Butyl-2-(ethylamino)-6-methyl-4-pyrimidinol (CAS: 23947-60-6)?

5-Butyl-2-(ethylamino)-6-methyl-4-pyrimidinol is a white crystalline solid with a molecular weight of approximately 219.27 g/mol. It has a solubility of about 10.5 mg/mL in water and is slightly soluble in ethanol. The compound is moderately reactive, especially in the presence of acids or bases. It is stable under normal conditions but may degrade at high temperatures or in strong solvents.

How is 5-Butyl-2-(ethylamino)-6-methyl-4-pyrimidinol (CAS: 23947-60-6) typically synthesized?

5-Butyl-2-(ethylamino)-6-methyl-4-pyrimidinol is typically synthesized via the reaction of 5-bromomethyl-2-ethylamino-6-methylpyrimidine with n-butyllithium followed by a Grignard reaction with butyllithium. This method yields high selectivity and a good yield of the target compound. The reaction is usually carried out in a solvent like THF under anhydrous conditions.

What industries use 5-Butyl-2-(ethylamino)-6-methyl-4-pyrimidinol (CAS: 23947-60-6)?

5-Butyl-2-(ethylamino)-6-methyl-4-pyrimidinol is used in the pharmaceutical industry for the synthesis of certain antifungal and antiviral drugs due to its antimicrobial properties. It is also utilized in the sensor industry for the development of gas sensors due to its chemical reactivity. Additionally, it has potential applications in the polymer industry as a functional monomer.

What precautions should be taken when handling 5-Butyl-2-(ethylamino)-6-methyl-4-pyrimidinol (CAS: 23947-60-6)?

When handling 5-Butyl-2-(ethylamino)-6-methyl-4-pyrimidinol, 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. In case of a spill, it should be handled carefully and neutralized with an appropriate chemical before disposal. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.