Cyclopropyl(4-methoxyphenyl)5-pyrimidinylmethanol

Basic Information

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CAS Number

12771-68-5

Molecular Formula

C15H16N2O2

Molecular Weight

256.3 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

109.0 to 113.0 deg-C

Boiling Point

399.55°C (rough estimate)

Flash Point

221.2 °C

Refractive Index

1.6280 (estimate)

SMILES

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COC1=CC=C(C=C1)C(C2CC2)(C3=CN=CN=C3)O

InChI

InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3

InChIKey

HUTDUHSNJYTCAR-UHFFFAOYSA-N

LogP

2.1311000000000004

Topological Polar Surface Area

55.24000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

295

Safety Information

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GHS Hazard Pictograms

H311

Hazard Statement

H311 Toxic in contact with skin
Acute toxicity, dermal

Toxicity

LD50 in rats, mice (mg/kg): 4500, 5000 orally (Snel, Gramlich)

Synonyms & References

English

BRD-A09049921-001-01-9
alpha-Cyclopropyl-alpha-(p-methoxyphenyl)-5-pyrimidine-methanol
DTXSID2034338
SMP2_000074
BRN 6212277
5-Pyrimidinemethanol, .alpha.-cyclopropyl-.alpha.-(p-methoxyphenyl)-
Ancymidol
Ancymidol [ANSI:BSI:ISO]
EPA Pesticide Chemical Code 108601
5-Pyrimidinemethanol, alpha-cyclopropyl-alpha-(p-methoxyphenyl)-
alpha-Cyclopropyl-alpha-(4-methoxyphenyl)-5-pyrimidylmethanol
3C86AL416Z
alpha-Cyclopropyl-alpha-(p-methoxyphenyl)-5-pyrimidinemethanol
Ancymidol, plant cell culture tested, BioReagent
Cyclopropyl-(4-methoxy-phenyl)-pyrimidin-5-yl-methanol
NCGC00254927-01
AMCYMIDOL
12771-68-5
SCHEMBL122607
A11989
FT-0636768
NS00010292
CCRIS 9243
A805739
alpha-Cyclopropyl-alpha-(4-methoxyphenyl)-5-pyrimidinemethanol
AS-70116
C18774
Q2846016
A-rest
MFCD00072501
DTXCID0014338

MDL Number

MFCD00072501

Customs Code

2933599016

FAQ

What are the physical and chemical properties of Cyclopropyl(4-methoxyphenyl)5-pyrimidinylmethanol (CAS: 12771-68-5)?

Cyclopropyl(4-methoxyphenyl)5-pyrimidinylmethanol (CAS: 12771-68-5) is a crystalline solid with a molecular weight of approximately 287.3 g/mol. It has a low solubility in water but is more soluble in organic solvents such as methanol and ethanol. The compound is relatively stable but can undergo degradation under basic conditions. Its reactivity is moderate and it can participate in nucleophilic substitution reactions.

How is Cyclopropyl(4-methoxyphenyl)5-pyrimidinylmethanol (CAS: 12771-68-5) typically synthesized?

Cyclopropyl(4-methoxyphenyl)5-pyrimidinylmethanol (CAS: 12771-68-5) can be synthesized through a multi-step process involving pyrimidine coupling reactions and subsequent methylation. Commonly, the synthesis involves the use of a catalyst like palladium(II) acetate and a base like triethylamine. The yield is moderate, and the product can be purified using column chromatography.

What industries use Cyclopropyl(4-methoxyphenyl)5-pyrimidinylmethanol (CAS: 12771-68-5)?

Cyclopropyl(4-methoxyphenyl)5-pyrimidinylmethanol (CAS: 12771-68-5) is primarily used in the pharmaceutical industry due to its potential as a medicinal compound. It is also of interest in polymer science for its potential use in developing new materials. Additionally, it may have applications in sensors and semiconductors, although specific applications in these areas are not as well-documented.

What precautions should be taken when handling Cyclopropyl(4-methoxyphenyl)5-pyrimidinylmethanol (CAS: 12771-68-5)?

When handling Cyclopropyl(4-methoxyphenyl)5-pyrimidinylmethanol (CAS: 12771-68-5), standard safety precautions should be followed. Use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.