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(E)-1-bromo-3-(2-nitroprop-1-enyl)benzene, a chemical compound with the molecular formula C9H8BrNO2, is a nitroalkene derivative of benzene. It features a bromine atom and a nitro group in its structure, which contribute to its versatile reactivity in organic synthesis.

15804-72-5

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15804-72-5 Usage

Uses

Used in Organic Synthesis:
(E)-1-bromo-3-(2-nitroprop-1-enyl)benzene is used as a reagent for the preparation of various aromatic compounds. Its ability to undergo nucleophilic substitution reactions allows the introduction of the (E)-1-bromo-3-(2-nitroprop-1-enyl)benzene moiety into other molecules, expanding the range of accessible organic compounds.
Used in Pharmaceutical Production:
In the pharmaceutical industry, (E)-1-bromo-3-(2-nitroprop-1-enyl)benzene is utilized as a key intermediate in the synthesis of various pharmaceuticals. Its functional groups can be strategically modified to create new drug candidates with potential therapeutic applications.
Used in Agrochemical Production:
(E)-1-bromo-3-(2-nitroprop-1-enyl)benzene is also employed in the agrochemical sector for the synthesis of pesticides and other agrochemicals. Its reactivity enables the development of new compounds with improved efficacy and selectivity in crop protection.
Used in Fine Chemicals Production:
Due to its ability to introduce functional groups into organic molecules, (E)-1-bromo-3-(2-nitroprop-1-enyl)benzene is used in the production of fine chemicals. These specialized chemicals are used in various applications, including fragrances, dyes, and other high-value products.
Safety Precautions:
It is crucial to handle (E)-1-bromo-3-(2-nitroprop-1-enyl)benzene with care, as it is potentially hazardous. It should be used in a well-ventilated area, and appropriate protective equipment, such as gloves and eye protection, should be worn to minimize exposure risks.

Check Digit Verification of cas no

The CAS Registry Mumber 15804-72-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,5,8,0 and 4 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 15804-72:
(7*1)+(6*5)+(5*8)+(4*0)+(3*4)+(2*7)+(1*2)=105
105 % 10 = 5
So 15804-72-5 is a valid CAS Registry Number.

15804-72-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-bromo-3-[(E)-2-nitroprop-1-enyl]benzene

1.2 Other means of identification

Product number -
Other names 1-(3-Brom-phenyl)-2-nitro-prop-1-en

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:15804-72-5 SDS

15804-72-5Relevant academic research and scientific papers

Electrochemical Debromination of 1-Aryl-1,2-dibromo-2-nitropropanes in Dimethyl Sulfoxide

Cho, Bong Rae,Cho, Eun Jeong,Lee, Seung Jae,Chae, Won Seok

, p. 2077 - 2081 (1995)

Electrochemical debromination reactions of erythro-dl-1-aryl-1,2-dibromo-2-nitropropanes 1a-d at a platinum electrode have been investigated by cyclic voltammetry in 0.10 M LiClO4/DMSO.The reactions produced (E)-1-aryl-2-nitropropenes 2a-d in high yields.The cyclic voltammograms were irreversible and the reduction current decrease as the number of cycles increased.The peak potential for the reductions waves are in the range of -0.51 to -0.56 V (vs Ag/Ag(1+)) and show no clear trend with different aryl substituent.The current density increased as the concentration of the substrate increased.The slopes of the plots of log(I/A) vs log are close to unity, indicating unimolecular processes.For all reactions, the Tafel slopes are in the range of 115-125 mV.The logarithm of the ratio iX/iH at -0.16 V did not correlate with the Hammett substituent constants.From these results, the mechanism of these reactions is assessed.

Mechanism of Debromination of 1-Aryl-1,2-dibromo-2-nitropropanes Promoted by Secondary Amines in Acetonitrile

Cho, Bong Rae,Lee, Sup Joo,Kim, Yong Kwan

, p. 2072 - 2076 (1995)

Debromination reactions of erythro-dl-1-aryl-1,2-dibromo-2-nitropropanes with secondary amines in MeCN have been investigated kinetically.Reactions of erythro-dl-1-aryl-1,2-dibromo-2-nitropropanes with secondary amines in MeCN are stereospecific, producing (E)-1-aryl-2-nitropropenes quantitatively.The rate equation for the reaction is kobs = k2 + k32, indicating that the reactions proceed by both uncatalyzed and base-catalyzed pathways.The Hammett ?, Broensted β, ΔH(excit.), and ΔS(excit.) values for the k2 and k3 processes are 1.22 +/- 0.04 and 1.20 +/- 0.02, 0.77 +/- 0.05 and 1.05 +/- 0.13, 5.6 +/- 0.3 and 1.7 +/- 0.1 kcal/mol, and -49.1 +/- 4.5 and -60.7 +/- 204 eu, respectively.For dehalogenation reactions from vicinal dibromo and bromochloro compounds, the element effect of the leaving group kBr/kCl = 7.8 and 25 have been determined for the k2 and k3 processes.From these results, the mechanism and the trasition-state character of these reactions are assessed.

Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection

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Paragraph 0962; 0963, (2015/08/04)

The invention provides novel compounds having the general formula: wherein R1, R2, R3, R4, R5 and R6 are as described herein, compositions including the compounds and methods of using the compounds.

NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION

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Page/Page column 108, (2015/09/23)

The invention provides novel compounds having the general formula (I) wherein R1, R2 R3, R4, R5 and R6 are as described herein, compositions including the compounds and methods of using the compounds in the treatment of the hepatitis B virus.

Highly enantioselective reduction of α-methylated nitroalkenes

Burda, Edyta,Re?, Tina,Winkler, Till,Giese, Carolin,Kostrov, Xenia,Huber, Tobias,Hummel, Werner,Gr?ger, Harald

supporting information, p. 9323 - 9326 (2013/09/12)

Highly selective: The reduction of α-methyl-substituted nitroalkenes succeeds in a highly enantioselective fashion with an ene reductase from Gluconobacter oxydans. Under optimized reaction conditions the desired nitroalkanes are formed with enantiomeric excesses of up to 95% in these biotransformations. Copyright

SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE

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Page/Page column 30, (2008/06/13)

The present invention relates to pyrimidinones and pyridones and derivatives thereof, and pharmaceutically acceptable salts thereof. Also included is a method of treatment of inflammation, rheumatoid arthritis, Pagets disease, osteoporosis, multiple myeloma, uveititis, acute or chronic myelogenous leukemia, pancreatic ? cell destruction, osteoarthritis, rheumatoid spondylitis, gouty arthritis, inflammatory bowel disease, adult respiratory distress syndrome (ARDS), psoriasis, Crohn's disease, allergic rhinitis, ulcerative colitis, anaphylaxis, contact dermatitis, asthma, muscle degeneration, cachexia, Reiter's syndrome, type I diabetes, type II diabetes, bone resorption diseases, graft vs. host reaction, Alzheimer's disease, stroke, myocardial infarction, ischemia reperfusion injury, atherosclerosis, brain trauma, multiple sclerosis, cerebral malaria, sepsis, septic shock, toxic shock syndrome, fever, myalgias due to HIV-1, HIV-2, HIV-3, cytomegalovirus (CMV), influenza, adenovirus, the herpes viruses or herpes zoster infection in a mammal comprising administering an effective amount a compound as described above.

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