67570-38-1

Basic information

• Product Name: 2-[3,5-Bis(trifluoromethyl)phenyl]propan-2-ol
• Synonyms: 2-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-PROPAN-2-OL
• CAS NO: 67570-38-1
• Molecular Formula: C₁₁H₁₀F₆O
• Molecular Weight: 272.19
• Mol File: 67570-38-1.mol
• Article Data: 6

Chemical Properties

• Melting Point: 62.5-63.5 °C(Solv: pentane (109-66-0))
• Boiling Point: 184.2 °C at 760 mmHg
• Flash Point: 65.2 °C
• Appearance: /
• Density: 1.333g/cm³
• Vapor Pressure: 0.477mmHg at 25°C
• Refractive Index: 1.418
• Storage Temp.: 2-8°C
• PKA: 14.05±0.29(Predicted)
• CAS DataBase Reference: 2-[3,5-Bis(trifluoromethyl)phenyl]propan-2-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[3,5-Bis(trifluoromethyl)phenyl]propan-2-ol(67570-38-1)
• EPA Substance Registry System: 2-[3,5-Bis(trifluoromethyl)phenyl]propan-2-ol(67570-38-1)

Safety Data

• Hazardous Substances Data: 67570-38-1(Hazardous Substances Data)

Usage

General Description

2-[3,5-Bis(trifluoromethyl)phenyl]propan-2-ol, also known as BTFM-ph-2-propanol, is a chemical compound with the molecular formula C10H10F6O. It is a secondary alcohol with a phenyl group substituted with two trifluoromethyl groups and a hydroxyl group on the second carbon of the propan-2-ol backbone. 2-[3,5-Bis(trifluoromethyl)phenyl]propan-2-ol is commonly used as a reagent in organic synthesis and as a building block for the synthesis of pharmaceutical compounds. It is also used in the production of agrochemicals, dyes, and polymers. The trifluoromethyl groups contribute to the compound's lipophilicity and can enhance its biological activity, making it valuable in the development of new drugs and pharmaceuticals. However, it is important to handle this compound with caution, as the trifluoromethyl groups can be hazardous if not properly handled.

InChI:InChI=1/C11H10F6O/c1-9(2,18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5,18H,1-2H3

Upstream product

• 30071-93-3 3,5-bis(trifluoromethyl)phenyl methyl ketone 
• 328-70-1 3,6-bis(trifluoromethyl)bromobenzene 
• 67-64-1 acetone 
• 328-73-4 3,5-bis(trifluoromethyl)iodobenzene 
• 112981-69-8 3,5-bis(trifluoromethyl)phenylmagnesium bromide 

Downstream Products

• 873458-48-1 N-{1-(3,5-bistrifluoro-methylphenyl)-1-methyl-ethyl}-N-formamide 
• 155619-06-0 3-<3,5-bis(trifluoromethyl)phenyl>(1-¹³C)butan-2-ol 
• 155619-07-1 3-<3,5-bis(trifluoromethyl)phenyl>(1-¹³C)butan-2-one 
• 155619-05-9 2-<3,5-bis(trifluoromethyl)phenyl>propanal 
• 155619-04-8 2-<3,5-bis(trifluoromethyl)phenyl>propan-1-ol 
• 34815-78-6 3-<3,5-bis(trifluoromethyl)phenyl>butan-2-ol 
• 289686-69-7 2-(3,5-bis-trifluoromethyl-phenyl)-2-methyl-propionyl chloride 
• 290297-26-6 netupitant 
• 290296-68-3 2-(3,5-bis-trifluoromethyl-phenyl)-N-methyl-N-(6-morpholin-4-yl-4-o-tolyl-pyridin-3-yl)-isobutyramide 
• 289686-70-0 α,α-Dimethyl-3,5-bis(trifluoromethyl)benzeneacetic Acid 
• 67595-63-5 1-<3,5-bis(trifluoromethyl)phenyl>-1-methylethylium 
• 66875-48-7 1-(prop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene 

Relevant articles and documents

Synthesis method of netupitant intermediate (2-(3,5-bis(trifluoromethyl)phenyl)-2-methyl propionic acid)

The invention discloses a synthesis method of a netupitant intermediate (2-(3,5-bis(trifluoromethyl)phenyl)-2-methyl propionic acid). The method includes the following steps of adding a compound III and trimethylcyanosilane to an organic solvent, cooling the organic solvent to 0 DEG C, dropwise adding an acid catalyst, heating reaction liquid to the room temperature after dropwise adding is completed, conducting quenching, extracting, organic phase drying, filtering, filtrate concentrating, recrystallizing, filtering and drying on reaction liquid after reaction ends to obtain a compound II, adding water to the compound II, dropwise adding concentrated sulfuric acid for reflux reaction, and conducting quenching, extracting, organic phase drying, filtering, concentrating, filtering and drying on the reaction liquid after reaction ends. The method has the advantages that the adopted synthesis method is simple in step, a highly-toxic product (methyl iodide) or a metal palladium catalyst is avoided, the reaction route is short, the raw materials are low in price and easy to obtain, the reaction conditions are mild, the production process is simple in operation, the product yield is high, and thus the method is suitable for large-scale production.

PIPERIDINE COMPOUND AND METHOD FOR PRODUCING SAME

The present invention relates to a novel piperidine compound represented by the formula [I]: wherein Ring A represents an optionally substituted benzene ring, Ring B represents an optionally substituted benzene ring, R1 represents an optionally

Acetolysis of 2-Aryl-1-methylpropyl Systems: Mechanism of the Formation of the Retained Product without Neighbouring Group Participation

threo-2--1-(13C)methylpropyl p-bromobenzenesulphonate (threo-(13C)1-OBs) has been solvolyzed in acetic acid to give rise to the retained threo-1-OAc which contains a small amount of threo-(13C)1-OAc accompanying no 13C-scrambling.At 75percent conversion, the isomerized erythro-1-OBs has been obtained along with the unchanged threo-1-OBs.Also, the erythro-1-OTs has been found at 50percent conversion in the presence of NaOTs.These stereochemical results indicate strongly that the acetate with the retained configuration accompanying no 13C-scrambling is formed via isomerization of the substrate by inversive anion exchange and a successive ks pathway with configurational inversion.Such a retained product was not detected in the acetolysis of threo-1-methyl-2-phenylpropyltoluene-p-sulphonate with no electron withdrawing substituent.