2038-62-2

Basic information

• Product Name: Benzene, (3-fluoropropyl)-
• CAS NO: 2038-62-2
• Molecular Formula: C9H11F
• Molecular Weight: 138.185
• Mol File: 2038-62-2.mol
• Article Data: 47

Chemical Properties

• CAS DataBase Reference: Benzene, (3-fluoropropyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, (3-fluoropropyl)-(2038-62-2)
• EPA Substance Registry System: Benzene, (3-fluoropropyl)-(2038-62-2)

Safety Data

• Hazardous Substances Data: 2038-62-2(Hazardous Substances Data)

Usage

General Description

Benzene, (3-fluoropropyl)-, also known as 3-Fluoropropylbenzene, is a chemical compound with the molecular formula C9H11F. It is a colorless liquid with a sweet, aromatic odor, and is primarily used in the production of pharmaceuticals, dyes, and other organic compounds. This chemical is also used as a solvent and as an intermediate in the synthesis of various organic compounds. It is important to handle this chemical with caution as it may be harmful if inhaled, swallowed, or in contact with skin, and may cause irritation to the eyes and respiratory system. Proper safety measures should be taken when working with this compound to avoid any potential hazards.

Upstream product

• 104-52-9 phenylpropyl chloride 
• 122-97-4 3-Phenyl-1-propanol 
• 94404-34-9 C₁₅H₁₅FS 
• 104-53-0 3-phenyl-propionaldehyde 
• 1120341-27-6 Ph(CH₂)2CF(SO₂Ph)2 
• 1821-12-1 4-Phenylbutyric acid 
• 61124-61-6 3-phenylpropanal p-tosylhydrazone 
• 100-42-5 styrene 
• 637-59-2 1-Bromo-3-phenylpropane 
• 429-41-4 tetrabutyl ammonium fluoride 
• 811-68-7 silver(I) trifluoromethanethiolate 
• 54812-94-1 (3-phenylpropyl)magnesium chloride 
• 66950-73-0 3-phenylpropyl 1-trifluoromethanesulfonate 
• 69804-99-5 3-phenylpropanol methanesulfonate 

Downstream Products

• 117657-84-8 1‐[²H]‐3‐phenylpropane 
• 69804-99-5 3-phenylpropanol methanesulfonate 
• 637-59-2 1-Bromo-3-phenylpropane 
• 947681-13-2 2-chloro-5-fluoro-N₄-[4-(3-fluoropropyl)phenyl]-4-pyrimidineamine 
• 1065039-45-3 4-(3-fluoropropyl)aniline 
• 876502-99-7 N-butyl-N-(3-phenylpropyl)butan-1-amine 
• 70770-06-8 1-benzyloxy-3-phenylpropane 
• 4119-41-9 1-iodo-3-phenylpropan 
• 462-23-7 4-fluorobutanoic acid 
• 1065039-42-0 1-(3-fluoropropyl)-4-nitrobenzene 
• 883146-04-1 4-(3-fluoropropyl)-benzenesulfonyl chloride 

Relevant articles and documents

PREPARATION OF MONOFLUOROCARBOXYLIC ACIDS USING N,N-DIETHYL-1,1,2,3,3,3-HEXAFLUOROPROPYLAMINE

A method is outlined for the preparation of monofluorocarboxylic acids using Ishikawa's reagent, (C2H5)2NCF2CHFCF3 (PPDA), directly from hydroxyesters, or indirectly from monofluorinated alkylbenzenes, followed by the oxidation of the phenyl ring to a carboxylic acid.The chiral fluorocarboxylic acids, (2S) and (2R)-3-fluoro-2-methylpropionates (>99percent ee) and (2S)-2-fluoropropionic acid (55percent ee) are prepared as are 3-fluoropropionate and 4-fluorobutyrate.

SUBSTITUENT CONSTANTS FOR ALIPHATIC FUNCTIONS OBTAINED FROM PARTITION

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A facile conversion of primary or secondary alcohols with n-perfluorobutane-sulfonyl fluoride/1,8-diazabicyclo[5.4.0]undec-7-ene into their corresponding fluorides

The combination of n-perfluorobutanesulfonyl fluoride (2) with 1,8-diazabicyclo-[5.4.0]undec-7-ene efficiently converts primary and secondary alcohols in unipolar solvents into their corresponding fluorides.

Efficient protocol for the SO2F2-mediated deoxyfluorination of aliphatic alcohols

Alkyl fluorides are prevalent in both the pharmaceutical and agrochemical industries. As such, there has been significant interest over the past 40 years in the development of new synthetic methods to access these important fluorinated motifs. Herein we report the sulfuryl fluoride-mediated deoxyfluorination of alcohols using room temperature reaction conditions in only an hour. A wide range of primary aliphatic alcohols were efficiently converted to the corresponding fluoride in 46-70% isolated yields. Secondary alcohols were also effectively deoxyfluorinated in 50–92% yields. Chiral secondary alcohols were cleanly converted to the corresponding alkyl fluoride with only a minor deterioration of the enantioenrichment. A steroid derivative also underwent deoxyfluorination in 50% yield and 5.9:1 dr, with the major product resulting from net inversion of the stereocenter.

Fluorination reagent and deoxygenation fluorination method

In order to overcome the problems of high cost and poor stability of the existing deoxidation fluorination reagent, the invention provides a fluorination reagent. The fluorination reagent comprises acation M and an anion, and the anion is selected from one or more of the following perfluoropolyether chain carboxylic acid anions: CF3 (OCF2) nCO2, and n is selected from 1-10. Meanwhile, the invention further discloses a deoxidation fluorination method. The fluorination reagent provided by the invention has the advantages that the materials are easy to obtain, the fluorination products can beobtained at higher yield for various alcohol substrates, and the universality for different alcohol substrates is better.