2-[3-(Trifluoromethyl)benzoyl]aminoacetic acid

Product Name: 2-[3-(Trifluoromethyl)benzoyl]aminoacetic acid
CAS No.: 17794-48-8
Chemical Name: 2-[3-(Trifluoromethyl)benzoyl]aminoacetic acid
Synonyms: EOS-61907;2-acetic acid;3-trifluoromethylhippurate;m-Trifluoromethylhippuric acid;(3-(trifluoromethyl)benzoyl)glycine;N-(3-(TRIFLUOROMETHYL)BENZOYL)GLYCINE;Glycine, N-[3-(trifluoromethyl)benzoyl]-;2-{[(3-trifluoromethyl)benzoyl]amino}acetic;2-(3-(TRIFLUOROMETHYL)BENZAMIDO)ACETIC ACID;([3-(TRIFLUOROMETHYL)BENZOYL]AMINO)ACETIC ACID
CBNumber: CB2258508
Molecular Formula: C10H8F3NO3
Formula Weight: 247.17
MOL File: 17794-48-8.mol

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2-[3-(Trifluoromethyl)benzoyl]aminoacetic acid Property

Melting point:: 134-138°C
Boiling point:: 401.7±45.0 °C(Predicted)
Density: 1.417±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 3.69±0.10(Predicted)
Appearance: White to light yellow Solid
CAS DataBase Reference: 17794-48-8(CAS DataBase Reference)

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Safety

Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2924297099

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word: Warning
Hazard statements: H319Causes serious eye irritation
Precautionary statements: P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: T790853
Product name: 2-(3-(Trifluoromethyl)benzamido)aceticAcid
Packaging: 50mg
Price: $45
Updated: 2021/12/16

Apolloscientific

Product number: PC9489
Product name: 2-[3-(Trifluoromethyl)benzoyl]aminoaceticacid
Purity: 97%
Packaging: 250mg
Price: $37
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4857-3-X8
Product name: 2-[3-(Trifluoromethyl)benzoyl]aminoacetic acid
Purity: 97%
Packaging: 250mg
Price: $40
Updated: 2021/12/16

Matrix Scientific

Product number: 044058
Product name: 2-{[3-(Trifluoromethyl)benzoyl]amino}acetic acid
Purity: >95%
Packaging: 500mg
Price: $48
Updated: 2021/12/16

ChemScene

Product number: CS-M0140
Product name: 2-(3-(trifluoromethyl)benzamido)aceticacid
Packaging: 1g
Price: $56
Updated: 2021/12/16

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2-[3-(Trifluoromethyl)benzoyl]aminoacetic acid Chemical Properties,Usage,Production

Definition

ChEBI: M-Trifluoromethylhippuric acid is a N-acylglycine. It is functionally related to a N-benzoylglycine.

Synthesis

2251-65-2

56-40-6

17794-48-8

GENERAL STEPS: In a 12 L four-necked round-bottomed flask equipped with a thermocouple controller, mechanical stirrer, heating jacket, condenser tube, and nitrogen inlet and outlet fittings, glycine (1, Alfa Aesar) (318 g, 4.19 mol), acetonitrile (1.2 L), and sodium hydroxide solution (5.31 L, 10.62 mol) were added. The mixture was cooled with stirring to 4°C. A solution of 3-(trifluoromethyl)benzoyl chloride (2, Alfa Aesar) (885.0 g, 4.12 mol) dissolved in acetonitrile (0.75 L) was added slowly and dropwise over a period of 2 h (1.39 L in total) while the internal temperature was controlled to be between 4-6°C. The mixture was then purified with a mixture of 2.5 g, 4.12 mol and 3-(trifluoromethyl)benzoyl chloride (2, Alfa Aesar). The resulting slightly orange-pink colored solution was continued to be stirred at 4°C for 30 min. The reaction mixture was acidified to pH=3 with concentrated hydrochloric acid (400 mL of 37% HCl solution was added over 30 min, keeping the temperature between 0-6°C) and stirred at 0°C for 1 h until a slightly pale yellow suspension was formed. The solid was collected by filtration, washed with cold (0°C) deionized water (300 mL x 2), dried in air for 2 h, and placed in a 60°C drying oven. Drying under room vacuum (120 mmHg) for 20 h gave pure 2-(3-(trifluoromethyl)benzoylamino)acetic acid (3) as an off-white solid. The filtrate was extracted with ethyl acetate (1 L x 2), and the combined organic phases were washed with brine (300 mL), concentrated to 66°C at room temperature, and then concentrated under high vacuum (20 mmHg) to give the crude product as an off-white waxy solid. The crude product was ground, sonicated with toluene (1 L) and stirred at 10°C for 1 hour. The solid was collected by filtration, washed with hexane (50 mL x 2) and dried in a vacuum oven at 50°C to give additional pure 2-(3-(trifluoromethyl)benzoylamino)acetic acid (3) as an off-white solid. The structure of product 3 was confirmed by 1H-NMR.

References

[1] Patent: US2010/144695, 2010, A1. Location in patent: Page/Page column 61-62
[2] Patent: EP2452939, 2012, A2. Location in patent: Page/Page column 17
[3] Patent: US2012/190689, 2012, A1. Location in patent: Page/Page column 11-12
[4] Patent: US2005/192302, 2005, A1. Location in patent: Page/Page column 21
[5] Patent: WO2012/114223, 2012, A1. Location in patent: Page/Page column 36

2-[3-(Trifluoromethyl)benzoyl]aminoacetic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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2-[3-(Trifluoromethyl)benzoyl]aminoacetic acid Suppliers

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17794-48-8, 2-[3-(Trifluoromethyl)benzoyl]aminoacetic acidRelated Search:

Benzoyl chloride Glycine Folic acid 4-Hydroxy-D-(-)-2-phenylglycine 3-(Trifluoromethyl)benzaldehyde 4-Aminophenylacetic acid 3-Trifluoromethylphenol (Trifluoromethyl)trimethylsilane Benzotrifluoride Phenylmethylsulfonyl fluoride Ethyl 2-(Chlorosulfonyl)acetate Lithium trifluoromethanesulfonate 3-(Trifluoromethyl)cinnamic acid 2-Aminobenzotrifluoride Stearic acid Citric acid 4-Aminobenzotrifluoride BENZOYL ISOCYANATE

([3-(TRIFLUOROMETHYL)BENZOYL]AMINO)ACETIC ACID

2-([3-(TRIFLUOROMETHYL)BENZOYL]AMINO)ACETIC ACID

N-(3-(TRIFLUOROMETHYL)BENZOYL)GLYCINE

2-acetic acid

2-(3-(TRIFLUOROMETHYL)BENZAMIDO)ACETIC ACID

3-trifluoromethylhippurate

m-Trifluoromethylhippuric acid

2-{[(3-trifluoromethyl)benzoyl]amino}acetic

Glycine, N-[3-(trifluoromethyl)benzoyl]-

EOS-61907

2-[3-(Trifluoromethyl)benzoyl]aminoacetic acid-4

(3-(trifluoromethyl)benzoyl)glycine

2-(3-(trifluoromethyl)benzamido)acetic acid, CAS 17794-48-8

17794-48-8

C10H8F3NO3

ARYL AMIDE

Phenyls & Phenyl-Het

Aromatic Halides (substituted)

Phenyls & Phenyl-Het