100125-86-8

Basic information

• Product Name: 2-(Allyloxy)-5-broMo-1,3-diMethylbenzene
• Synonyms: 2-(Allyloxy)-5-broMo-1,3-diMethylbenzene
• CAS NO: 100125-86-8
• Molecular Formula: C₁₁H₁₃BrO
• Molecular Weight: 241.12432
• Mol File: 100125-86-8.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 284.4°C at 760 mmHg
• Flash Point: 121.5°C
• Appearance: /
• Density: 1.267g/cm³
• Vapor Pressure: 0.00511mmHg at 25°C
• Refractive Index: 1.535
• CAS DataBase Reference: 2-(Allyloxy)-5-broMo-1,3-diMethylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(Allyloxy)-5-broMo-1,3-diMethylbenzene(100125-86-8)
• EPA Substance Registry System: 2-(Allyloxy)-5-broMo-1,3-diMethylbenzene(100125-86-8)

Safety Data

• Hazardous Substances Data: 100125-86-8(Hazardous Substances Data)

Usage

Appearance

White to light yellow solid

Molecular weight

243.12 g/mol

Usage

Intermediate in the synthesis of pharmaceuticals and organic chemicals, production of fragrances and flavoring agents, building block in the manufacture of various types of polymers

Safety precautions

Handled and used in accordance with established safety precautions and regulations to minimize potential risks to human health and the environment.

InChI:InChI=1/C11H13BrO/c1-4-5-13-11-8(2)6-10(12)7-9(11)3/h4,6-7H,1,5H2,2-3H3

Upstream product

• 2374-05-2 4-bromo-2,6-dimethyl-phenol 
• 75-01-4 chloroethylene 
• 107-05-1 3-chloroprop-1-ene 
• 106-95-6 allyl bromide 

Downstream Products

• 7192-39-4 4-(allyloxy)-3,5-dimethylbenzoic acid 

Relevant articles and documents

Novel S1P1 receptor agonists - Part 1: From pyrazoles to thiophenes

From a high-throughput screening campaign aiming at the identification of novel S1P1 receptor agonists, the pyrazole derivative 2 emerged as a hit structure. Medicinal chemistry efforts focused not only on improving the potency of the compound but in particular also on resolving its inherent instability issue. This led to the discovery of novel bicyclo[3.1.0]hexane fused thiophene derivatives. Compounds with high affinity and selectivity for S1P1 efficiently reducing the blood lymphocyte count in the rat were identified. For instance, compound 85 showed EC50 values of 7 and 2880 nM on S1P1 and S1P3, respectively, had favorable pharmacokinetic properties in rat and dog, distributed well into brain tissue, and efficiently and dose dependently reduced the blood lymphocyte count in the rat. After oral administration to spontaneously hypertensive rats, the S1P 1 selective compound 85 showed no effect on mean arterial blood pressure and affected the heart rate during the wake phase of the animals only.

PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS

The invention relates to phenyl derivatives of formula (I), their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents.

Synthesis and activity of novel bile-acid conjugated glucocorticoid receptor antagonists

A series of potent steroidal glucocorticoid receptor antagonists has been discovered. After conjugation to cholic acid, the compounds retained an affinity for GR in vitro and had modest in vivo efficacy.