172290-52-7 Usage
Structure
1,3-Dioxane, 5-bromo-5-(bromomethyl)-2-phenyl-
The molecule consists of a 1,3-dioxane ring with a bromine atom at the 5-position, a bromine-containing methyl group at the same 5-position, and a phenyl ring at the 2-position.
Isomer
trans-
The two bromine atoms and the phenyl ring are arranged in a trans configuration, meaning they are on opposite sides of the 1,3-dioxane ring.
Application
Organic synthesis and pharmaceutical research
The compound is used as an intermediate in the synthesis of various organic compounds and may have potential applications in the development of pharmaceuticals.
Hazard
Potential irritant
The chemical can cause irritation to the skin, eyes, and respiratory system if not handled properly.
Safety concerns
Harmful if ingested or inhaled
Ingestion or inhalation of the compound can lead to harmful health effects, so it is crucial to follow safety protocols when working with this substance.
Precaution
Handle with care
Due to its potential hazards, it is essential to take necessary precautions when handling, storing, and using this chemical to minimize the risk of exposure and harm.
Check Digit Verification of cas no
The CAS Registry Mumber 172290-52-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,2,2,9 and 0 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 172290-52:
(8*1)+(7*7)+(6*2)+(5*2)+(4*9)+(3*0)+(2*5)+(1*2)=127
127 % 10 = 7
So 172290-52-7 is a valid CAS Registry Number.
172290-52-7Relevant academic research and scientific papers
Hudec, John,Liebeschuetz, John W.
, p. 1139 - 1146 (1998)
The stereo- and regio-chemistry of two step additions of positive halogen electrophiles to 5-methylene-2-phenyl-1,3-dioxane, 1-tert-butyl-4-methylenecyclohexane and 3-methoxy-2-(methoxymethyl)prop-1-ene have been determined. The direction of initial electrophile attack is in line with the frontier orbital and electrostatic considerations described by us previously. The regiochemistry of addition is strongly affected by hyperconjugative effects, acting between the intermediate epihalonium ion and the β C-X bonds. Where the β C-X bonds bear a fixed periplanar relation to the epihalonium ion and X is more electronegative than hydrogen, anti-Markownikoff addition is strongly promoted and becomes exclusive when two such β C-X bonds are present. If the β C-X bond is free to rotate away from periplanarity, then β C-H bonds will adopt the geometry required for hyperconjugation and Markownikoff regiochemistry will be favoured. The results are consistent with ab initio theoretical calculations and can be rationalised using a simple electrostatic model.
