277756-46-4

Basic information

• Product Name: 1-TRIFLUOROMETHYLCYCLOPROPANE-1-CARBOXYLIC ACID
• Synonyms: 1-TRIFLUOROMETHYLCYCLOPROPANE-1-CARBOXYLIC ACID;1-(TRIFLUOROMETHYL)CYCLOPROPANE-1-CARBO&;Cyclopropanecarboxylic acid, 1-(trifluoromethyl)- (9CI);1-(Trifluoromethyl)cyclopropane-1-carboxylic acid 99%;1-(Trifluoromethyl)cyclopropane-1-carboxylicacid99%;1-TRIFLUOROMETHYLCYCLOPROPANECARBOXYLIC ACID;1-Trifluoromethylcyclopropane-1-carboxylic acid ,97%;1-Carboxy-1-(trifluoromethyl)cyclopropane
• CAS NO: 277756-46-4
• Molecular Formula: C₅H₅F₃O₂
• Molecular Weight: 154.09
• EINECS: -0
• Product Categories: CARBOXYLICACID;C1 to C5;Carbonyl Compounds;Carboxylic Acids;Aliphatics;Chiral Reagents
• Mol File: 277756-46-4.mol

Chemical Properties

• Melting Point: 86 °C
• Boiling Point: 182-184°C
• Flash Point: 182-184°C
• Appearance: /
• Density: 1.588g/cm³
• Vapor Pressure: 1.29mmHg at 25°C
• Refractive Index: 1.421
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 3.03±0.20(Predicted)
• BRN: 8543283
• CAS DataBase Reference: 1-TRIFLUOROMETHYLCYCLOPROPANE-1-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1-TRIFLUOROMETHYLCYCLOPROPANE-1-CARBOXYLIC ACID(277756-46-4)
• EPA Substance Registry System: 1-TRIFLUOROMETHYLCYCLOPROPANE-1-CARBOXYLIC ACID(277756-46-4)

Safety Data

• Hazard Codes: C,Xi
• Statements: 34-22
• Safety Statements: 26-36/37/39-45
• RIDADR: 3261
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 277756-46-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1-TRIFLUOROMETHYLCYCLOPROPANE-1-CARBOXYLIC ACID is used as a key intermediate in the synthesis of MK-5046, a potent and selective bombesin receptor subtype-3 agonist. The application reason for this use is to facilitate the development of novel treatments for obesity by targeting the specific receptor, potentially leading to more effective therapies.
Additionally, while not explicitly mentioned in the provided materials, due to its unique chemical structure and reactivity, 1-TRIFLUOROMETHYLCYCLOPROPANE-1-CARBOXYLIC ACID may also have potential applications in other areas of the chemical and pharmaceutical industries, such as the synthesis of other bioactive compounds or materials with specific properties. However, further research and development would be necessary to explore and validate these potential uses.

InChI:InChI=1/C5H5F3O2/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H,9,10)

Upstream product

• 598-10-7 cyclopropane-1,1-dicarboxylic acid 
• 1559-02-0 diethyl cyclopropane-1,1-dicarboxylate 

Downstream Products

• 902494-31-9 tert-butyl (1-(trifluoromethyl)cyclopropyl)carbamate 
• 371917-17-8 1-Hydroxymethyl-1-(trifluoromethyl)cyclopropane 
• 208242-25-5 methayl 1-(trifluoromethyl)cyclopropanecarboxylate 
• 865833-72-3 [1-(trifluoromethyl)cyclopropyl]methyl-4-methylbenzene-1-sulfonate 
• 1159997-38-2 (R)-N-(1-(trifluoromethyl)cyclopropyl)-1-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide 
• 1185280-10-7 1,7-dimethyl-3-(2-methyl-5-(5-(1-(trifluoromethyl)cyclopropyl)-1,2,4-oxadiazol-3-ylamino)phenyl)-1,6-naphthyridin-2(1H)-one 
• 1223404-13-4 (R)-N-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-1-(trifluoromethyl)cyclopropanecarboxamide 
• 1242269-27-7 N-(4-chloro-3-nitro-benzyl)-1-trifluoromethyl-cyclopropane carboxamide 
• 1252637-34-5 (2S,4R)-4-[4-(2,2,2-trifluoroethoxy)-2-trifluoromethylbenzenesulfonyl]-1-(1-trifluoromethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid (1-cyanocyclopropyl)amide 
• 1229311-61-8 1-(trifluoromethyl)cyclopropane-1-carbaldehyde 
• 1354043-63-2 C₂₂H₁₇F₄N₇O₂ 
• 1354043-22-3 C₂₂H₁₇F₄N₇O₂ 
• 1381846-16-7 2-Chloro-N-(1H-imidazol-2-yl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzamide 
• 1252634-14-2 (2S,4R)-4-[2-chloro-4-((S)-2,2,2-trifluoro-1-methylethoxy)benzenesulfonyl]-1-(1-trifluoromethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)amide 

Relevant articles and documents

Preparation method and intermediate of 1-(-trifluoromethyl) cyclopropane -1- carboxylic acid compound (by machine translation)

The invention relates to a preparation method 1 - (of) trifluoromethyl I cyclopropane - 1 1-carboxylic acid type, compound, which is a novel, effective and safe and environment-friendly preparation method. of 1 - (-trifluoromethyl) cyclopropane - 1 1-carboxylic acid as a medicine intermediate body for preparing a final drug. (by machine translation)

Preparation method of trifluoromethyl substituted carboxylic acid compound

The invention provides a preparation method of a trifluoromethyl substituted carboxylic acid compound. The method is significantly advantageous over processes in the prior art. Advantages are reflected in low cost and high yield. Another alternative schem

Preparation method of 1-trifluoromethyl cyclopropane-1-formic acid

The invention relates to a preparation method of 1-trifluoromethyl cyclopropane-1-formic acid. The preparation method includes: using self-made 1-(trifluoromethyl)cyclopropyl-1-alcohol as the initialraw material and acetonitrile as the solvent, and adding sodium hydride and p-toluenesulfonyl chloride in batches to obtain an intermediate 1; adding sodium cyanide and DMF into the intermediate 1 toperform reflux reaction, performing heat preservation overnight, and performing normal-pressure rectification to obtain an intermediate 2; adding the intermediate 2 into a sodium hydroxide solution, heating to perform reflux reaction, regulating pH to 1-2 after the reaction, extracting with an organic solvent for several times, and concentrating the organic phase to obtain white solid, namely thetarget product. The preparation method has the advantages that the method is cheap in raw materials and high in yield, the use of expensive fluorinating reagents such as SF4 is avoided, and cost is lowered effectively; the method is mild in reaction conditions, safe in reaction, simple in post-treatment, simple in operation and suitable for industrial production, especially the first step does notneed purification, and the intermediate 1 obtained in the first step can be directly used in the reaction of the second step.

Selective reactions of 1,1-cycloalkanedicarboxylic acids with SF4. a route to 1,1-bis(trifluoromethyl)cycloalkanes, 1-fluoroformyl-1-(trifluoromethyl)cycloalkanes and 1-(trifluoromethyl)-1-cycloalkanecarboxylic acids

Six-, five-, four- and three-membered 1,1-cycloalkanedicarboxylic acid (2a-d) were synthesized by alkaline hydrolysis of the corresponding diesters (1a-d) and the reactions of the formers with SF4 were investigated. 1,1-Bis(trifluoromethyl)cycloalkanes (3a-d) were the products of the reactions conducted at 120-150°C while at 30°C 1-fluoroformyl-1-(trifluoromethyl)cycloalkanes (4a-d) were exclusively formed. The latter were isolated as pure compounds or converted in situ into 1-(trifluoromethyl)-1-cycloalkanecarboxylic acids (5a-d).