42042-71-7

Basic information

• Product Name: 4-(Isopropylamino)butanol
• Synonyms: 4-(Isopropylamino)butanol;4-hydroxy-N-isopropylbutan-1-aMine;4-(Isopropylamino)butan-1-ol;4-(propan-2-ylamino)butan-1-ol;1-Butanol, 4-(isopropylamino)-;4-[(1-Methylethyl)amino]-1-butanol
• CAS NO: 42042-71-7
• Molecular Formula: C₇H₁₇NO
• Molecular Weight: 131.21598
• EINECS: 1592732-453-0
• Product Categories: non-prostanoid prostacyclin (PGI2) receptor agonist
• Mol File: 42042-71-7.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 85°C/1mmHg(lit.)
• Flash Point: 56.161°C
• Appearance: /
• Density: 0.87g/cm³
• Vapor Pressure: 0.122mmHg at 25°C
• Refractive Index: 1.4480-1.4520
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 15.13±0.10(Predicted)
• CAS DataBase Reference: 4-(Isopropylamino)butanol(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(Isopropylamino)butanol(42042-71-7)
• EPA Substance Registry System: 4-(Isopropylamino)butanol(42042-71-7)

Safety Data

• RIDADR: 1993
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 42042-71-7(Hazardous Substances Data)

Usage

Description

4-(Isopropylamino)butanol, a chemical compound with the molecular formula C7H17NO, is a derivative of butanol that features an isopropylamino group. This versatile compound is recognized for its applications in both pharmaceutical and industrial sectors, making it a valuable intermediate in the synthesis of a range of drugs and other chemical products.

Uses

Used in Pharmaceutical Industry:
4-(Isopropylamino)butanol is used as a pharmaceutical intermediate for the synthesis of various drugs, including antihypertensive agents and local anesthetics. Its unique chemical structure allows it to serve as a key component in the development of medications that address cardiovascular and anesthetic needs.
Used in Industrial Applications:
4-(Isopropylamino)butanol is used as a corrosion inhibitor, helping to protect materials from the damaging effects of corrosion, thereby extending their service life and improving their performance in various industrial settings.
Additionally, it is used as a reagent in the production of coatings and adhesives, contributing to the formulation of high-quality products that offer enhanced bonding and protective properties. Its role in these applications underscores its utility in the development of materials with improved performance characteristics.

InChI:InChI=1/C7H17NO/c1-7(2)8-5-3-4-6-9/h7-9H,3-6H2,1-2H3

Upstream product

• 42042-66-0 N-isopropyl-4-hydroxybutyramide 
• 13325-10-5 4-Aminobutanol 
• 67-64-1 acetone 
• 928-51-8 4-Chloro-1-butanol 
• 75-31-0 isopropylamine 
• 6622-04-4 4-(isopropylamino)-4-oxobutanoic acid 

Downstream Products

• 475086-75-0 4-[N-(5,6-diphenylpyrazine-2-yl)-N-isopropylamino]-1-butanol 
• 475086-01-2 Selexipag 
• 96267-69-5 Benzilsaeure-({2-[isopropyl-(4-chlor-butyl)-amino]-aethylester}) 
• 1848-04-0 Benzilsaeure-<<2--aethylester>> 
• 95433-84-4 Diphenylessigsaeure-<2-(isopropyl-<4-chlor-butyl>-amino)-aethylester> 

Relevant articles and documents

Method for synthesizing 4-isopropylamino-1-butanol

The invention relates to a method for synthesizing 4-isopropylamino-1-butanol. The method includes following steps: feeding isopropylamine, 4-chloro-1-butanol, a reaction solvent and an acid-binding agent in a sealed reactor according to a molar ratio of 10-1:1:0-20:0-5; controlling the temperature to be 30-90 DEG C, carrying out a reaction for 5-48 hours, adding water to obtain a reaction solution, carrying out a series of reaction post-treatment such as rotary evaporation, acid adjustment, washing the reaction product, carrying out alkali adjustment, extraction, drying and suction filtrationon the reaction solution, and performing pressure reduced distillation on the product to obtain 4-isopropylamino-1-butanol. The method has the advantages of readily available raw materials, few reaction steps, mild reaction conditions, few byproducts, simplicity and convenience in operation, recycling of the used organic solvent, less influence on the environment, simple post-treatment, high product purity and yield, and suitableness for industrial production.

METHOD FOR PREPARING 4-ISOPROPYLAMINO-1-BUTANOL

The present invention relates to a preparation method of 4-isopropylamino-1-butanol, in which using cheap and readily available tetrahydrofuran and acetic acid solution of hydrogen bromide as starting materials to prepare a novel intermediate of 4-isopropylamino-1-acetoxyl butane and further obtain the target product. The present invention has advantages of convenient process operations, mild reaction conditions, economical and environment-friendly benefits, and suitability for industrial production to obtain the product with high purity and high yield.

AN IMRPOVED PROCESS FOR THE PREPARATION OF SELEXIPAG OR ITS PHARMACEUTICALLY ACCEPTABLE SALTS

The present invention provides an improved process for Selexipag of formula (I) or its pharmaceutically acceptable salts.