2-Methyl-4-[(2-methylbenzoyl)amino]benzoic acid

Basic Information

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CAS Number

317374-08-6

Molecular Formula

C16H15NO3

Molecular Weight

269.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

230-233°C

Boiling Point

382.943°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C16H15NO3/c1-10-5-3-4-6-13(10)15(18)17-12-7-8-14(16(19)20)11(2)9-12/h3-9H,1-2H3,(H,17,18)(H,19,20)

InChIKey

KJGSVQLCVULXJU-UHFFFAOYSA-N

LogP

3.253940000000001

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

369

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

SCHEMBL533724
AM20090721
KJGSVQLCVULXJU-UHFFFAOYSA-N
317374-08-6
CS-0152974
MFCD16038736
AS-18284
2-methyl-4-[(2-methylphenyl)carbonylamino]benzoic acid
2-Methyl-4-(2-methyl-benzoylamino)benzoic acid
2-methyl-4-[(2-methylbenzoyl)amino]Benzoic acid
DTXSID30649002
J-509965
2-Methyl-4-(2-methylbenzoylamino)benzoic acid
AKOS011099138
AC-25520
A820976
Z877701564
A857007
Benzoic acid, 2-methyl-4-[(2-methylbenzoyl)amino]-
2-Methyl-4-(2-methylbenzamido)benzoic acid
FT-0659534
2-methyl-4-[[(2-methylphenyl)-oxomethyl]amino]benzoic acid
2-methyl-4-(2-methyl-benzoylamino)-benzoic acid
2-Methyl-4-(2-methylbenzamido)benzoicacid
EN300-3290707
BCP20411
Tolvaptan side chain
4-(2-Methylbenzoylamino)-2-methylbenzoic acid

MDL Number

MFCD16038736

FAQ

What are the physical and chemical properties of 2-Methyl-4-[(2-methylbenzoyl)amino]benzoic acid (CAS: 317374-08-6)?

The compound 2-Methyl-4-[(2-methylbenzoyl)amino]benzoic acid (CAS: 317374-08-6) is a white to off-white crystalline solid with a molecular weight of approximately 302.29 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and methanol. The compound is relatively stable under normal conditions but can react with strong bases. It is an important intermediate in organic synthesis and pharmaceuticals.

How is 2-Methyl-4-[(2-methylbenzoyl)amino]benzoic acid (CAS: 317374-08-6) typically synthesized?

2-Methyl-4-[(2-methylbenzoyl)amino]benzoic acid (CAS: 317374-08-6) is typically synthesized via a multi-step process involving the coupling of 2-methylbenzoyl chloride with an amino group followed by esterification. Common solvents include dichloromethane and triethylamine, with a catalyst like 4-(dimethylamino)pyridine (DMAP) to enhance reaction selectivity and yield. The final product is isolated by recrystallization from a suitable solvent.

What industries use 2-Methyl-4-[(2-methylbenzoyl)amino]benzoic acid (CAS: 317374-08-6)?

2-Methyl-4-[(2-methylbenzoyl)amino]benzoic acid (CAS: 317374-08-6) is used in various industries, primarily in the pharmaceutical and chemical sectors. It serves as a key intermediate in the synthesis of drugs and other organic compounds. Additionally, it finds applications in the production of certain polymers and as a component in sensor technologies.

What precautions should be taken when handling 2-Methyl-4-[(2-methylbenzoyl)amino]benzoic acid (CAS: 317374-08-6)?

When handling 2-Methyl-4-[(2-methylbenzoyl)amino]benzoic acid (CAS: 317374-08-6), it is essential to wear protective equipment such as gloves and safety goggles. It should be stored in a cool, dry place away from strong bases and acids to avoid degradation. Ensure adequate ventilation and use a fume hood during handling and synthesis. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.