81613-61-8

Basic information

• Product Name: 3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROP-2-YN-1-OL
• Synonyms: 3,5-BIS(TRIFLUORO-METHYL) PHENYL PROPARGYL ALCOHOL;AKOS PRN-0058;1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-HYDROXY-1-PROPYNE;3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROP-2-YN-1-OL;3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-PROPYN-1-OL;BUTTPARK 75\04-24;3-[3,5-Bis(trifluoromethyl)phenyl]prop-2-yn-1-ol 97%;3-[3,5-Bis(trifluoromethyl)phenyl]prop-2-yn-1-ol97%
• CAS NO: 81613-61-8
• Molecular Formula: C₁₁H₆F₆O
• Molecular Weight: 268.16
• Mol File: 81613-61-8.mol
• Article Data: 4

Chemical Properties

• Melting Point: 58 °C
• Boiling Point: 84 °C
• Flash Point: 99.4 °C
• Appearance: /
• Density: 1.45 g/cm³
• Vapor Pressure: 0.0202mmHg at 25°C
• Refractive Index: 1.457
• PKA: 12.75±0.10(Predicted)
• CAS DataBase Reference: 3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROP-2-YN-1-OL(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROP-2-YN-1-OL(81613-61-8)
• EPA Substance Registry System: 3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROP-2-YN-1-OL(81613-61-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 81613-61-8(Hazardous Substances Data)

Usage

General Description

3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROP-2-YN-1-OL is a chemical compound with the molecular formula C13H7F6O. It is a propargyl alcohol derivative containing two trifluoromethylphenyl groups. 3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROP-2-YN-1-OL is commonly used in organic chemical synthesis and as a building block for the preparation of pharmaceuticals, agrochemicals, and materials science research. It is known for its strong electron-withdrawing and steric effects, making it a valuable reagent in a wide range of chemical reactions. Additionally, the presence of the trifluoromethyl groups makes this compound particularly stable and resistant to degradation, making it useful for various applications in the chemical industry.

InChI:InChI=1/C11H6F6O/c12-10(13,14)8-4-7(2-1-3-18)5-9(6-8)11(15,16)17/h4-6,18H,3H2

Upstream product

• 328-73-4 3,5-bis(trifluoromethyl)iodobenzene 
• 107-19-7 propargyl alcohol 
• 328-70-1 3,6-bis(trifluoromethyl)bromobenzene 

Downstream Products

• 1057671-47-2 3-(3,5-bis(trifluoromethyl)phenyl)propan-1-ol 
• 81613-58-3 1-(3,5-bistrifluoromethylphenyl)-3-bromoprop-1-yne 

Relevant articles and documents

FUSED BICYCLIC ISOXAZOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN

Compounds having the structure of Formula I, including pharmaceutically acceptable salts of the compounds, wherein X is (CH2) or O, are CETP inhibitors and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or pr

Novel 5-(3-aryl-2-propynyl)-5-(arylsulfonyl)thiazolidine-2,4-diones as antihyperglycemic agents

Novel 5-(3-aryl-2-propynyl)-5-(arylsulfonyl)thiazolidine-2,4-diones and 5-(3-aryl-2-propynyl)5-(arylsulfanyl)thiazolidine-2,4-diones were prepared and evaluated as oral antihyperglycemic agents in the obese, insulin resistant db/db mouse model at 100 mg/kg and, if the analogue had sufficient potency, 20 mg/kg. The sulfonylthiazolidinediones, 2, were more potent than the corresponding sulfanylthiazolidinedione congeners, 1. With regard to substituent effects on the 3-propynyl phenyl ring (Ar') of 2, 4-halogen substitution generally resulted in the more potent analogues. Substituent effects on the phenylsulfonyl moiety (Ar) of 2 were less clear, although para-halogen substitution on Ar generally was preferable. 2-Pyridinesulfonyl derivatives (Ar = 2-pyridine in 2) also had good potency. Several compounds from series 2 were effective at lowering glucose and insulin in the obese, insulin resistant ob/ob mouse at the 50 mg/kg oral dose. Compound 20 significantly improved the glucose tolerance of obese, insulin resistant Zucker rats at the 20 mg/kg dose level and had no effect on plasma glucose or on glucose tolerance in normal rats fasted for 18 h at the 100 mg/kg level.