14041-01-1

Basic information

• Product Name: Ethanone, 1-(4-bromophenyl)-2-(1-oxopropoxy)-
• CAS NO: 14041-01-1
• Molecular Formula: C11H11BrO3
• Molecular Weight: 271.111
• Mol File: 14041-01-1.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: Ethanone, 1-(4-bromophenyl)-2-(1-oxopropoxy)-(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 1-(4-bromophenyl)-2-(1-oxopropoxy)-(14041-01-1)
• EPA Substance Registry System: Ethanone, 1-(4-bromophenyl)-2-(1-oxopropoxy)-(14041-01-1)

Safety Data

• Hazardous Substances Data: 14041-01-1(Hazardous Substances Data)

Upstream product

• 4203-30-9 1-(4-bromo-phenyl)-2-diazo-ethanone 
• 802294-64-0 propionic acid 
• 67028-16-4 p-bromophenacyl acrylate 
• 99-73-0 para-bromophenacyl bromide 
• 108-86-1 bromobenzene 
• 4209-02-3 1-(4-bromophenyl)-2-chloroethan-1-one 
• 67028-13-1 3-Acetoxy-propionic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester 
• 67028-15-3 3-Hydroxy-propionsaeure-(4-brom-phenacylester) 
• 586-75-4 4-chlorobenzoyl chloride 
• 5863-72-9 tributyltin propionate 
• 327-62-8 potassium propionate 

Relevant articles and documents

Convergent Synthesis of Immune Inhibitor IMMH002

A convergent synthesis of IMMH002 in 36% overall yield starting from bromobenzene is described with a key Suzuki-Miyaura cross-coupling reaction used to provide a crucial intermediate. The route does not require column chromatography and solves the most intractable quality problem caused by a homologue by-product in the original linear synthesis. Furthermore, reducing the use of Lewis acid mediated reactions improves the environmental impact of the synthesis and reduces overall waste. The new route described herein is more efficient, convenient, reliable, and economically more viable when compared to the previously reported linear route.

Preparation method of aituomode

The invention discloses a preparation method of aituomode. Bromo-benzene and benzene are used as initial raw materials to prepare aituomode by adopting a convergent synthesis route. The yield of the preparation method is high, the cost is low, the amount of generated waste water, waste gas, and waste solids is low, the operation is convenient, and the application value is high.

Design, synthesis and docking-based 3D-QSAR study of novel 2-substituted 2-aminopropane-1,3-diols as potent and selective agonists of sphingosine-1-phosphate 1 (S1P1) receptor

Spingosine-1-phosphate receptor 1 (S1P1) has been actively pursued as an important therapeutic target in immune regulation. A series of 2-substituted 2-aminopropane-1,3-diols were designed and synthesized as selective S1P1 agonists. Most of the compounds with a biphenyl ether scaffold showed moderate to excellent S1P1/S1P3 selectivity. Compound 40c is identified as a potent S1P1 agonist with 350-fold S1P1/S1P3 selectivity. 39c, the alcohol form of 40c exerted good lymphopenia activity in vivo but with weak influence on heart rate. To investigate the SARs of 2-substituted 2-aminopropane-1,3-diols in more details, COMFA (q2 = 0.547, r2 = 0.986) and COMSIA (q 2 = 0.544, r2 = 0.943) models were established based on molecular docking alignment, which were validated with high reliability in predicting activities of agonists. The 3D-QSAR models will be helpful in the design of novel, potent and selective S1P1 agonists. The Royal Society of Chemistry.