N-(3-Isopropoxyphenyl)-2-methylbenzamide

Basic Information

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CAS Number

55814-41-0

Molecular Formula

C17H19NO2

Molecular Weight

269.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

84-89 °C

Boiling Point

412.48°C (rough estimate)

Density

1.0483 (rough estimate)

Flash Point

159.7 °C

Solubility

Chloroform (Slightly), DMSO (Slightly), Methanol (Very Slightly)

Refractive Index

1.5400 (estimate)

SMILES

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CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC(C)C

InChI

InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)

InChIKey

BCTQJXQXJVLSIG-UHFFFAOYSA-N

LogP

4.034520000000002

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

316

Synonyms & References

English

3'-Isopropoxy-o-toluanilide
2-methyl-N-(3-propan-2-yloxyphenyl)benzamide
3'-Isopropoxy-2-methylbenzanilide
Benzamide, 2-methyl-N-[3-(1-methylethoxy)phenyl]-
Mepronil 10 microg/mL in Cyclohexane
NCGC00163916-01
KCO-1
NS00003853
SCHEMBL18447
Tox21_302431
FT-0640339
Mepronil, PESTANAL(R), analytical standard
CHEBI:81823
3'-iso-propoxy-2-methylbenzanilide
N-(3-Isopropoxyphenyl)-2-methylbenzamide #
DTXSID1037565
2-methyl-N-[3-(propan-2-yloxy)phenyl]benzamide
Basitac
NCGC00255513-01
MEPRONIL
C18548
Maybridge1_007427
3'-isopropoxy-2-methylbenzoic acid anilide
55814-41-0
2-Methyl-N-(3-(1-methylethoxy)phenyl)benzamide
HMS562J13
KS-5375
QJK1MXY8DW
CAS-55814-41-0
2-Methyl-3'-isopropoxybenzanilide
2-Methyl-N-[3-(1-Methylethoxy)phenyl]benzamide

MDL Number

MFCD00144739

Customs Code

2924299011

FAQ

What are the physical and chemical properties of N-(3-Isopropoxyphenyl)-2-methylbenzamide (CAS: 55814-41-0)?

N-(3-Isopropoxyphenyl)-2-methylbenzamide (CAS: 55814-41-0) is a white crystalline solid with a molecular weight of approximately 263.38 g/mol. It has a melting point of 112-114°C and is slightly soluble in water. Chemically, it exhibits moderate reactivity towards acids and bases. It is an amide derivative, which makes it susceptible to hydrolysis under basic conditions. Its solubility in organic solvents such as ethanol and acetone is good.

How is N-(3-Isopropoxyphenyl)-2-methylbenzamide (CAS: 55814-41-0) typically synthesized?

N-(3-Isopropoxyphenyl)-2-methylbenzamide (CAS: 55814-41-0) can be synthesized via the condensation reaction of 3-isopropoxyaniline with 2-methylbenzoic acid in the presence of a suitable catalyst such as p-toluenesulfonic acid. Common solvents include acetic anhydride or acetonitrile, and the reaction typically proceeds with a good yield. The product is then purified by recrystallization from ethanol.

What industries use N-(3-Isopropoxyphenyl)-2-methylbenzamide (CAS: 55814-41-0)?

N-(3-Isopropoxyphenyl)-2-methylbenzamide (CAS: 55814-41-0) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in the polymer industry, particularly in the production of certain types of plastics and coatings. Additionally, it can be used as a component in sensors and as a precursor in semiconductor manufacturing.

What precautions should be taken when handling N-(3-Isopropoxyphenyl)-2-methylbenzamide (CAS: 55814-41-0)?

When handling N-(3-Isopropoxyphenyl)-2-methylbenzamide (CAS: 55814-41-0), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to avoid inhalation of potential fumes. Spills should be cleaned up immediately using appropriate absorbent materials and followed by thorough rinsing of the area. Always refer to the safety data sheet (SDS) for detailed guidelines on handling and storage.