3413-15-8

Basic information

• Product Name: 1(3H)-Isobenzofuranone, 3-butyl-, (S)-
• CAS NO: 3413-15-8
• Molecular Formula: C12H14O2
• Molecular Weight: 190.242
• Mol File: 3413-15-8.mol
• Article Data: 57

Chemical Properties

• CAS DataBase Reference: 1(3H)-Isobenzofuranone, 3-butyl-, (S)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1(3H)-Isobenzofuranone, 3-butyl-, (S)-(3413-15-8)
• EPA Substance Registry System: 1(3H)-Isobenzofuranone, 3-butyl-, (S)-(3413-15-8)

Safety Data

• Hazardous Substances Data: 3413-15-8(Hazardous Substances Data)

Usage

Chemical Structure

Chiral aromatic compound with a butyl side chain attached to the benzene ring

Usage

Flavoring agent in the food industry, production of perfumes and fragrances, manufacturing of various consumer products

Aroma

Sweet, fruity, and floral

Physical State

Colorless to pale yellow liquid

Odor

Strong and pleasant smell

Safety

Generally regarded as safe for use in food and consumer products, but should be handled with care and used in accordance with safety guidelines

Upstream product

• 1020260-46-1 (S)-(-)-1-ethynylpentyl 2,4-pentadienoate 
• 626-99-3 1,3-butadiene-1-carboxylic acid 
• 551-08-6 3-butylidenephthalide 
• 109-65-9 1-bromo-butane 
• 16859-59-9 3-hydroxy-1(3H)-isobenzofuranone 
• 693-03-8 n-butyl magnesium bromide 
• 110-62-3 pentanal 
• 124-38-9 carbon dioxide 
• 92-85-3 Thianthrene 
• 693-04-9 butyl magnesium bromide 
• 162050-42-2 3-hydroxy-3-butyl-1(3H)-isobenzofuranone 
• 120-47-8 Ethyl 4-hydroxybenzoate 
• 1020260-45-0 1-ethynylpentyl 2,4-pentadienoate 
• 610-97-9 o-iodo-methyl-benzoic acid 

Downstream Products

• 380905-48-6 (±)-2-(1-hydroxypentyl)benzoic acid 
• 380905-53-3 (R)-2-(1-hydroxy-n-pentyl)benzoic acid 

Relevant articles and documents

Visible Light-Promoted Magnesium, Iron, and Nickel Catalysis Enabling C(sp3)-H Lactonization of 2-Alkylbenzoic Acids

A mild and practical C(sp3)-H lactonization protocol has been achieved by merging photocatalysis and magnesium (iron, nickel) catalysis. A diverse range of 2-alkylbenzoic acids with a variety of substitution patterns could be transformed into the corresponding phthalide products. Based on the mechanistic experimentation and reported prior studies, a possible mechanism for the benzylic oxidative lactonization reaction was proposed with the hypothetic photoactive ternary complex formed between the 2-alkylbenzoic acid substrate, magnesium ion, and bromate anion.

Novel purification method of butylphthalide

The invention aims to provide a simple and easy-to-operate method for preparing high-purity butylphthalide. The method comprises the following steps: subjecting o-formylbenzoic acid to reacting with a Grignard reagent to prepare a reaction solution of butylphthalide, regulating the reaction solution to a certain pH value by using a specific acid at a certain temperature, extracting a product by using an organic solvent, and washing an organic phase by using an alkali so as to obtain high-purity butylphthalide. According to the method, silica gel column chromatography or a high-temperature and high-vacuum distillation method is not used; tedious multiple acid and alkali adjusting procedures for purifying butylphthalide is avoided; operation is simple and effective; and the method is suitable for industrial large-scale production.

Preparation method of butylphthalide

The invention discloses a of butylphthalide. The preparation method comprises the following steps: with phthalic anhydride as a starting material, carrying out condensation, hydrolysis, reduction andesterification reactions to obtain butylphthalide. According to the preparation method, reaction raw materials are easy to obtain, operation is simple, reaction conditions are relatively mild, requirements on equipment is low, crude drugs with a purity of more than 99.80% and meeting medicinal requirements can be obtained without rectification, and the preparation method is suitable for industrialproduction.