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HomeProduct name listMethyl 3-amino-4-methylbenzoate

Methyl 3-amino-4-methylbenzoate

Synonym(s):Methyl 3-amino-p-toluate

  • CAS NO.:18595-18-1
  • Empirical Formula: C9H11NO2
  • Molecular Weight: 165.19
  • MDL number: MFCD00025206
  • EINECS: 606-067-8
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-03-28 13:36:31
Methyl 3-amino-4-methylbenzoate Structural

What is Methyl 3-amino-4-methylbenzoate?

Description

Methyl 3-amino-4-methylbenzoate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

Chemical properties

Beige powder

The Uses of Methyl 3-amino-4-methylbenzoate

Methyl 3-Amino-4-methylbenzoate is used as a reagent in the synthesis of perfluoroalkylated indoles which are very useful in drug development. It was also used in the preparation of 4-(pyrimidin-2-ylamino) benzamide derivatives which are designed as inhibitors of hedgehog signalling pathway (target of cancer treatment).

What are the applications of Application

Methyl 3-amino-4-methylbenzoate can be used for:
To prepare the methyl 4-methyl-3-((4-(proparg-1-yloxy)benzyl)amino)benzoate, 4-proparg-1-yloxybenzaldehyde (16) and methyl 3-amino-4-methylbenzoate were reacted according to the method IA.
Synthesis of Methyl 4-methyl-3-((4-(2-methylthiazol-4-yl)benzoyl)amino)benzoate
Synthesis of 4-Methyl-3-((4-(2-methylthiazol-4-yl)benzoyl)amino)benzamide
Synthesis of methyl 3-(4-hydroxy-6-methyl-2-oxopyridin-1 (2H)-yl)-4-methylbenzoate
Synthesis of methyl 3-(4-hydroxy-6-methyl-2-oxopyridin-1 (2H)-yl)-4-methylbenzoate
Synthesis of (5-Carbomethoxy-2-methylphenyl)(4-hydroxypheny)diazene: To a solution of 6N HC1 (6 mL) was added methyl 3-amino-4-methylbenzoate (1.62 g, 10.0 mmol). The solution was cooled in an ice-bath, and was diazotized by adding sodium nitrite (0.9 g, 12.0 mmol). To a cold solution of phenol in 21% aqueous NaOH solution (6 mL) was added diazotized solution slowly. After 20 min, the solution was acidfied by adding 4 N aqueous HC1 and was poured into the cold water, filtered, and washed with water. Recrystallization from ethanol gave the product (2.0 g, 74%) as red crystals, mp 181.3-182.2 °C.

Preparation

Synthesis of Methyl 3-amino-4-methylbenzoate: Nitro ester Methyl 4-methyl-3-nitrobenzoate (80 g, 0.410 mol) was subjected to hydrogenation in a Parr shaker in MeOH using Raney Ni as the catalyst (5 g, 20 mol %) at 50 psi for 8 hours. The catalyst was filtered off, washed thoroughly with MeOH and the combined filtrates concentrated under reduced pressure to furnish a yellow solid (65.0 g). Yield : 96% Mp : 114-5°C (lit.14 Mp 116°C)

Definition

ChEBI: Methyl 3-amino-4-methylbenzoate is a benzoate ester.

Properties of Methyl 3-amino-4-methylbenzoate

Melting point: 113-117 °C(lit.)
Boiling point: 296.3±20.0 °C(Predicted)
Density  1.132±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Crystalline Powder
pka 3.31±0.10(Predicted)
color  White to cream
BRN  2088611
CAS DataBase Reference 18595-18-1(CAS DataBase Reference)

Safety information for Methyl 3-amino-4-methylbenzoate

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Methyl 3-amino-4-methylbenzoate

InChIKey YEPWCJHMSVABPQ-UHFFFAOYSA-N

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