(3R)-3-ammonio-4-(2,4,5-trifluorophenyl)butanoate

(3R)-3-ammonio-4-(2,4,5-trifluorophenyl)butanoate - Names and Identifiers

Name	(R)-3-Amino-4-(2,4,5-trifluorophenyl)butyric acid
Synonyms	Sitagliptin-butanoic acid (3R)-3-ammonio-4-(2,4,5-trifluorophenyl)butanoate (R)-3-Amino-4-(2,4,5-trifluorophenyl)butyric acid (R)-3-Amino-4-(2,4,5-Trifluorophenyl)-butyric acid Benzenebutanoic acid, β-aMino-2,4,5-trifluoro-, (βR)- Benzenebutanoic acid, b-aMino-2,4,5-trifluoro-, (bR)- Benzenebutanoic acid, b-amino-2,4,5-trifluoro-, (bR)- (R)-3-Amino-4-(2,4,5-Trifluorophenyl)butyric Acid Hydrochloride Benzenebutanoic acid, .beta.-aMino-2,4,5-trifluoro-, (.beta.R)- tert-butyl (R)-1-(Methoxycarbonyl)-3-(2,4,5-trifluorophenyl)propan-2-ylcarbaMate Tert-butyl (R)-1-(methoxycarbonyl)-3-(2,4,5-trifluorophenyl) propan-2-ylcarbamate Tert-butyl(R)-1-(methoxycarbonyl)-3-(2,4,5-trifluorophenyl)propan-2-ylcarbamatetert-butyl(R)-1-(methoxycarbonyl)-3-47(2,4,5-trifluorophenyl)propan-2-ylcarbamate
CAS	936630-57-8
EINECS	1308068-626-2
InChI	InChI=1/C10H10F3NO2/c11-7-4-9(13)8(12)2-5(7)1-6(14)3-10(15)16/h2,4,6H,1,3,14H2,(H,15,16)/t6-/m1/s1

(3R)-3-ammonio-4-(2,4,5-trifluorophenyl)butanoate - Physico-chemical Properties

Molecular Formula	C10H10F3NO2
Molar Mass	233.19
Density	1.399
Melting Point	217-219 °C(Solv: water (7732-18-5); acetone (67-64-1))
Boling Point	326.6±42.0 °C(Predicted)
Flash Point	151.3°C
Vapor Presure	8.67E-05mmHg at 25°C
pKa	3.66±0.10(Predicted)
Storage Condition	2-8°C(protect from light)
Refractive Index	1.513

(3R)-3-ammonio-4-(2,4,5-trifluorophenyl)butanoate - Introduction

(R)-3-Amino-4-(2,4,5-trifluorophenyl)butyric acid is an organic compound with the chemical formula C10H10F3NO2. It has a chiral carbon atom and exists as two enantiomers (R) and (S). In this compound, the native form is the (R)-isomer.

The properties of this compound include:

1. Appearance: colorless crystal or white crystalline powder.
2. Melting point: about 160-162°C.
3. solubility: soluble in some organic solvents such as methanol, ethanol and dimethyl sulfoxide, insoluble in water.

One of the main uses of (R)-3-Amino-4-(2,4,5-trifluorophenyl)butyric acid is as a pharmaceutical intermediate. It can be used to synthesize a variety of biologically active compounds, such as anti-cancer drugs, anti-inflammatory drugs and so on. In addition, it can also be used to synthesize pesticides and dyes.

The common method for preparing (R)-3-Amino-4-(2,4,5-trifluorophenyl)butyric acid is through the substitution reaction of butyric acid. The specific preparation method can have various routes, and the common method is to react butyric acid with 2,4, 5-trifluoroaniline under alkaline conditions to produce the target product.

Regarding safety information, due to the different characteristics and application scope of the compound, if the compound is used in the laboratory or industrial production, it is necessary to follow the relevant safety operating procedures. The toxicity and danger of the compounds need to be assessed on a case-by-case basis and protective measures taken accordingly. Personal protective measures such as wearing appropriate protective glasses, gloves and laboratory clothing must be taken when using or handling the compound.

Last Update：2024-04-09 21:04:16