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

General Description

4-(Isopropylamino)butanol is a chemical compound with the molecular formula C7H17NO. It is a derivative of butanol and contains an isopropylamino group. This chemical is commonly used as a pharmaceutical intermediate in the synthesis of various drugs, including antihypertensive agents and local anesthetics. Additionally, 4-(Isopropylamino)butanol has been studied for its potential use as a corrosion inhibitor and as a reagent in the production of coatings and adhesives. As a versatile compound, it has applications in both the pharmaceutical and industrial sectors.

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.

PROCESS FOR THE PREPARATION OF SELEXIPAG AND INTERMEDIATES THEREOF

The present invention provides processes for the preparation of Selexipag compound of formula (1). The present invention also provides processes for the preparation of 4-[(5,6-diphenyl-pyrazin-2-yl)-isopropyl -amino]-butan-1-ol (2), and 4-isopropylamino-butan-1-ol of formula (3), which are intermediates for the synthesis of Selexipag (1 ).