68291-92-9

Basic information

• Product Name: AKOS B023217
• Synonyms: AKOS B023217;TIMTEC-BB SBB009636;(1,3-BENZODIOXOL-5-YLMETHYL)ISOPROPYLAMINE;BENZO[1,3]DIOXOL-5-YLMETHYL-ISOPROPYL-AMINE;UKRORGSYN-BB BBV-164851;(1,3-benzodioxol-5-ylmethyl)isopropylamine(SALTDATA: HCl);ART-CHEM-BB B023217;CHEMBRDG-BB 5572794
• CAS NO: 68291-92-9
• Molecular Formula: C₁₁H₁₅NO₂
• Molecular Weight: 193.24
• Mol File: 68291-92-9.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 273.3°Cat760mmHg
• Flash Point: 109.5°C
• Appearance: /
• Density: 1.1g/cm³
• Vapor Pressure: 0.00578mmHg at 25°C
• Refractive Index: 1.536
• CAS DataBase Reference: AKOS B023217(CAS DataBase Reference)
• NIST Chemistry Reference: AKOS B023217(68291-92-9)
• EPA Substance Registry System: AKOS B023217(68291-92-9)

Safety Data

• Hazardous Substances Data: 68291-92-9(Hazardous Substances Data)

Usage

General Description

AKOS B023217 is a chemical compound with the CAS number 64628-44-0, used in various industrial and research applications. It is reportedly a colorless to light yellow liquid with a molecular weight of 249.32 g/mol and a boiling point of around 230-234°C. AKOS B023217 is considered to be stable under normal temperatures and pressures, and it may be incompatible with strong oxidizing agents. AKOS B023217 may have potential uses in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds due to its unique chemical properties, but further research and testing are necessary to fully understand its potential applications.

InChI:InChI=1/C11H15NO2/c1-8(2)12-6-9-3-4-10-11(5-9)14-7-13-10/h3-5,8,12H,6-7H2,1-2H3

Upstream product

• 120-57-0 piperonal 
• 75-31-0 isopropylamine 
• 74760-64-8 N-(2-propyl)-piperonylideneamine 
• 2620-50-0 1,3-benzodioxol-5-ylmethyl amine 
• 108-18-9 diisopropylamine 
• 67-64-1 acetone 

Relevant articles and documents

Design, synthesis and the structure-activity relationship of agonists targeting on the ALDH2 catalytic tunnel

ALDH2, a key enzyme in the alcohol metabolism process, detoxifies several kinds of toxic small molecular aldehydes, which induce severe organ damages. The development of novel Alda-1 type ALDH2 activators was mostly relied on HTS but not rational design so far. To clarify the structure–activity relationship (SAR) of the skeleton of Alda-1 analogs by synthesis of the least number of analogs, we prepared 31 Alda-1 analogs and 3 isoflavone derivatives and evaluated for their ALDH2-activating activity. Among these, the ALDH2-activating activity of mono-halogen-substituted (Cl and Br) N-piperonylbenzamides 3b and 3 k, and non-aromatic amides 8a-8c, were 1.5–2.1 folds higher than that of Alda-1 at 20 μM. The relationship between binding affinity in computer aided molecular docking model and the ALDH2-activating activity assays were clarified as follows: for Alda-1 analogs, with the formation of halogen bonds, the enzyme-activating activity was found to follow a specific regression curve within the range between ?5 kcal/mol and ?4 kcal/mol. For isoflavone derivatives, the basic moiety on the B ring enhance the activating activity. These results provide a new direction of utilizing computer-aided modeling to design novel ALDH2 agonists in the future.

Selective amine cross-coupling using iridium-catalyzed "borrowing hydrogen" methodology

-