2-AMINO-4-TRIFLUOROMETHYL-BENZOIC ACID METHYL ESTER
- Product Name
- 2-AMINO-4-TRIFLUOROMETHYL-BENZOIC ACID METHYL ESTER
- CAS No.
- 61500-87-6
- Chemical Name
- 2-AMINO-4-TRIFLUOROMETHYL-BENZOIC ACID METHYL ESTER
- Synonyms
- 2-amino-4-(trifluoromethyl)benzoate;Methyl 2-amino-4-(trifluoromethyl)benzoate;Methyl 2-aMino-3-chloro-5-trifluoroMethoxybenzoate;2-AMINO-4-TRIFLUOROMETHYL-BENZOIC ACID METHYL ESTER;2-Amino-4-trifluoromethyl-benzoic acid methyl ester 97%;Benzoic acid, 2-aMino-4-(trifluoroMethyl)-, Methyl ester
- CBNumber
- CB7837216
- Molecular Formula
- C9H8F3NO2
- Formula Weight
- 219.16
- MOL File
- 61500-87-6.mol
2-AMINO-4-TRIFLUOROMETHYL-BENZOIC ACID METHYL ESTER Property
- Melting point:
- 65-68 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point:
- 267.5±40.0 °C(Predicted)
- Density
- 1.343±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 1.06±0.10(Predicted)
- color
- White to Light yellow to Light orange
- InChI
- InChI=1S/C9H8F3NO2/c1-15-8(14)6-3-2-5(4-7(6)13)9(10,11)12/h2-4H,13H2,1H3
- InChIKey
- DZICUHOFOOPVFM-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC=C(C(F)(F)F)C=C1N
Safety
- HS Code
- 2922498590
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
N-Bromosuccinimide Price
- Product number
- M2905
- Product name
- Methyl 2-Amino-4-(trifluoromethyl)benzoate
- Packaging
- 1G
- Price
- $65
- Updated
- 2025/07/31
- Product number
- M2905
- Product name
- Methyl 2-Amino-4-(trifluoromethyl)benzoate
- Packaging
- 5G
- Price
- $245
- Updated
- 2025/07/31
- Product number
- A630885
- Product name
- 2-Amino-4-trifluoromethylbenzoicAcidMethylEster
- Packaging
- 25g
- Price
- $275
- Updated
- 2021/12/16
- Product number
- X2838
- Product name
- Methyl 2-Amino-4-(trifluoromethyl)benzoate
- Packaging
- 100g
- Price
- $917
- Updated
- 2021/12/16
- Product number
- 074618
- Product name
- Methyl 2-amino-4-(trifluoromethyl)benzoate
- Purity
- 95+%
- Packaging
- 5g
- Price
- $998
- Updated
- 2021/12/16
2-AMINO-4-TRIFLUOROMETHYL-BENZOIC ACID METHYL ESTER Chemical Properties,Usage,Production
Uses
2-Amino-4-trifluoromethylbenzoic Acid Methyl Ester is an intermediate used to prepare quinazolinedione sulfonamides as competitive AMPA receptor antagonists. It is also used in the synthesis of (arylamino)pyrimidobenzazepinones and pyrimidobenzazepinethiones as inhibitors of polo-like kinase 1 and potential antitumor agents.
Synthesis
228418-45-9
61500-87-6
Step 2; Preparation of methyl 2-amino-4-trifluoromethylbenzoate; Methyl 2-nitro-4-(trifluoromethyl)benzoate (106 g, 425 mmol) was dissolved in ethanol. To a slurry of 10% palladium carbon (11.0 g) in ethyl acetate (200 mL) was added ethyl acetate (2.2 L), and the suspension was stirred for 3 h at room temperature and 60 °C under a hydrogen atmosphere. Upon completion of the reaction, the suspension was filtered through a Celite pad and the pad was washed with additional ethyl acetate. The filtrate was concentrated under reduced pressure to remove the solvent. The residue was purified by silica gel column chromatography using isohexane/ethyl acetate (9:1) as eluent to afford methyl 2-amino-4-trifluoromethylbenzoate as a white crystalline solid (84 g, 95% yield).
References
[1] Patent: WO2006/2342, 2006, A1. Location in patent: Page/Page column 55-56
[2] Patent: US2004/102636, 2004, A1
[3] Patent: US2008/269265, 2008, A1. Location in patent: Page/Page column 10
[4] Patent: EP1449834, 2004, A2. Location in patent: Page 16
[5] Patent: EP1042305, 2005, B1. Location in patent: Page/Page column 21
2-AMINO-4-TRIFLUOROMETHYL-BENZOIC ACID METHYL ESTER Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 2-AMINO-4-TRIFLUOROMETHYL-BENZOIC ACID METHYL ESTER manufacturers
- Product
- 2-AMINO-4-TRIFLUOROMETHYL-BENZOIC ACID METHYL ESTER 61500-87-6
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 100kg
- Release date
- 2019-07-11