2-Methyl-1,2-di(3-pyridinyl)-1-propanone

Basic Information

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CAS Number

54-36-4

Molecular Formula

C14H14N2O

Molecular Weight

226.28 g/mol

Basic Physical Properties

Melting Point

53-56oC

Boiling Point

384.4°C at 760mmHg

Flash Point

189.3°C

Solubility

H2O: soluble (sparingly)

Refractive Index

1.564

Vapor Pressure

4.11E-06mmHg at 25°C

SMILES

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CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3

InChIKey

FJLBFSROUSIWMA-UHFFFAOYSA-N

LogP

2.637100000000001

Topological Polar Surface Area

42.85 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

275

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

54-36-4
Su 4885
Metyrapone (JP17/USP/INN)
HMS2235E16
Methopyrapone
HMS3714F10
METYRAPONE [VANDF]
Metroprione
Metyraponum
Metyrapone (JP15/USP/INN)
1-Propanone, 2-methyl-1,2-di-3-pyridinyl-
Metapyron
Methbipyranone
MYT
HMS3869K13
EU-0009322
Metopyrone
EN300-18532278
NSC 25265
D00410
Metyrapone, United States Pharmacopeia (USP) Reference Standard
2-methyl-1,2-di(pyridin-3-yl)propan-1-one
CS-4879
EX-A1403
Metyrapone [USAN:BAN:INN:JAN]
METOPIRONE (TN)
BRD-K46862739-001-03-6
Metyraponum [INN-Latin]
Tox21_110323
DB01011
Metapirone

MDL Number

MFCD00006397

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Methyl-1,2-di(3-pyridinyl)-1-propanone (CAS: 54-36-4)?

2-Methyl-1,2-di(3-pyridinyl)-1-propanone (CAS: 54-36-4) is a crystalline solid with a molecular weight of approximately 238.2 g/mol. It is poorly soluble in water but soluble in organic solvents like acetone and ethanol. The compound is moderately reactive, particularly towards nucleophiles. It does not exhibit significant basicity or acidity under normal conditions.

How is 2-Methyl-1,2-di(3-pyridinyl)-1-propanone (CAS: 54-36-4) typically synthesized?

2-Methyl-1,2-di(3-pyridinyl)-1-propanone (CAS: 54-36-4) is typically synthesized via a condensation reaction between 3-pyridylmethyl ketone and 3-pyridylmethyl aldehyde, catalyzed by a Lewis acid such as zinc chloride. The yield is generally between 70-80%, and the reaction is conducted under mild conditions to ensure good selectivity.

What industries use 2-Methyl-1,2-di(3-pyridinyl)-1-propanone (CAS: 54-36-4)?

2-Methyl-1,2-di(3-pyridinyl)-1-propanone (CAS: 54-36-4) is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those requiring pyridine-based functional groups. It is also utilized in the polymer industry for the development of advanced materials, and in the sensor industry for its reactivity towards specific chemical species.

What precautions should be taken when handling 2-Methyl-1,2-di(3-pyridinyl)-1-propanone (CAS: 54-36-4)?

When handling 2-Methyl-1,2-di(3-pyridinyl)-1-propanone (CAS: 54-36-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood. In the event of a spill, it should be cleaned up carefully according to the SDS (Safety Data Sheet) guidelines. Always refer to the SDS for detailed safety information.