113439-92-2

Basic information

• Product Name: 4,4,4-trifluorobut-2-yn-1-ol
• Synonyms: 4,4,4-trifluorobut-2-yn-1-ol;4,4,4-Trifluoro-2-butyn-1-ol
• CAS NO: 113439-92-2
• Molecular Formula: C₄H₃F₃O
• Molecular Weight: 124
• Mol File: 113439-92-2.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 78.6±35.0 °C(Predicted)
• Appearance: /
• Density: 1.351±0.06 g/cm3(Predicted)
• PKA: 13.09±0.10(Predicted)
• CAS DataBase Reference: 4,4,4-trifluorobut-2-yn-1-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4,4-trifluorobut-2-yn-1-ol(113439-92-2)
• EPA Substance Registry System: 4,4,4-trifluorobut-2-yn-1-ol(113439-92-2)

Safety Data

• Hazardous Substances Data: 113439-92-2(Hazardous Substances Data)

Upstream product

• 50-00-0 formaldehyd 
• 1514-82-5 2-bromo-3,3,3-trifluoropropene 
• 661-54-1 3,3,3-trifluoroprop-1-yne 

Downstream Products

• 1236188-79-6 (3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)methanol 
• 1159600-63-1 (3-phenyl-5-(trifluoromethyl)isoxazol-4-yl)methanol 
• 1384267-71-3 C₁₂H₁₀F₃NO₃ 
• 83706-94-9 1-trifluoromethylprop-1-en-3-ol 

Relevant articles and documents

Potent and Selective Agonists of Sphingosine 1-Phosphate 1 (S1P1): Discovery and SAR of a Novel Isoxazole Based Series

Sphingosine 1-phosphate (S1P) is the endogenous ligand for the sphingosine 1-phosphate receptors (S1P1-5) and evokes a variety of cellular responses through their stimulation. The interaction of S1P with the S1P receptors plays a fundamental physiological role in a number of processes including vascular development and stabilization, lymphocyte migration, and proliferation. Agonism of S1P1, in particular, has been shown to play a significant role in lymphocyte trafficking from the thymus and secondary lymphoid organs, resulting in immunosuppression. This article will detail the discovery and SAR of a potent and selective series of isoxazole based full agonists of S1P1. Isoxazole 6d demonstrated impressive efficacy when administered orally in a rat model of arthritis and in a mouse experimental autoimmune encephalomyelitis (EAE) model of multiple sclerosis.

SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS

Disclosed are compounds of Formula (I), or a stereoisomer or a pharmaceutically acceptable salt thereof, wherein: A is formula (II) Q is a substituted 5-membered monocyclic heteroaryl group; W is CH2, O, or NH; and R1, R2, R3, R4, R5, R6, m, n, t, and x are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

4 - (5 - ISOXAZOLYL OR 5 - PYRRAZOLYL -1,2,4- OXADIAZOL - 3 - YL) -MANDELIC ACID AMIDES AS SPHINGOSIN- 1 - PHOSPHATE 1 RRECEPTOR AGONISTS

Disclosed are compounds of Formula (I) or stereoisomers, salts, or prodrugs thereof, wherein: Q is, or R1 is phenyl substituted with zero to 3 substituents; and R1, R2, R3, R4, R5, and G are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.