31053-99-3

Basic information

• Product Name: Benzene,1-bromo-2,3,5-trimethyl-
• Synonyms: 1-Bromo-2,3,5-trimethylbenzene;NSC 154610
• CAS NO: 31053-99-3
• Molecular Formula: C9H11 Br
• Molecular Weight: 199.09
• Mol File: 31053-99-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 281.6°Cat760mmHg
• Flash Point: 124.1°C
• Density: 1.366g/cm³
• CAS DataBase Reference: Benzene,1-bromo-2,3,5-trimethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene,1-bromo-2,3,5-trimethyl-(31053-99-3)
• EPA Substance Registry System: Benzene,1-bromo-2,3,5-trimethyl-(31053-99-3)

Safety Data

• Hazardous Substances Data: 31053-99-3(Hazardous Substances Data)

Usage

General Description

Benzene, 1-bromo-2,3,5-trimethyl- is an organic compound with the chemical formula C9H11Br. It is a colorless liquid with a strong, sweet odor, commonly used as a solvent in some industries. Benzene,1-bromo-2,3,5-trimethyl- is also known as 1-bromo-2,3,5-trimethylbenzene and is derived from benzene by the process of bromination, where hydrogen atoms on the benzene ring are replaced by bromine atoms. It is used in the production of pharmaceuticals, dyes, and other organic compounds. However, it is important to handle this compound with caution, as it is a hazardous chemical and can pose health risks if not used properly.

Upstream product

• 102236-50-0 2-bromo-3,4,6-trimethylaniline 
• 209684-76-4 2,3,5-Trimethylphenyl trifluoromethanesulfonate 
• 137-17-7 2,4,5-trimethylaniline 
• 610-91-3 5-nitropseudocumene 
• 95-63-6 1,2,4-Trimethylbenzene 
• 102236-49-7 2-Bromo-3,4,6-trimethylphenylammonium-chlorid 

Downstream Products

• 2437-66-3 2,3,5-trimethyl-benzoic acid 
• 41381-46-8 4,5-Diiod-1,2,4-trimethylbenzol 
• 63548-91-4 2,3,5-Trimethylbenzylnitrat 
• 50849-01-9 (2,3,5-trimethylphenyl)methyl alcohol 
• 62787-18-2 1,2,3,4-Tetramethyl-5-(2,3,5-trimethyl-phenoxy)-benzene 
• 41381-48-0 6-Brom-5-iod-1,2,4-trimethylbenzol 
• 31054-00-9 6-Jodpseudocumol 
• 41381-47-9 6-Brom-3-iodpseudocumol 

Relevant articles and documents

An improved palladium-catalyzed conversion of aryl and vinyl triflates to bromides and chlorides

A facile Pd-catalyzed conversion of aryl and vinyl triflates to aryl and vinyl halides (bromides and chlorides) is described. This method allows convenient access to a variety of aryl, heteroaryl, and vinyl halides in good to excellent yields and with greatly simplified conditions relative to our previous report.

2-(9-fluorenonyl)-carbapenem antibacterial agents

Carbapenems of the formula STR1 wherein either the 2-fluoren-9-one or 3-fluoren-9-one is attached at the 2-position of the carbapenem are useful antibacterial agents.

4. Synthese von Plectranthonen, diterpenoiden Phenanthren-1,4-chinonen

The following phenanthrene-1,4-diones have been synthesized by using the photocyclization of the corresponding highly substituted stilbenes as the key step: 3-hydroxy-5,7,8-trimethyl-2-(prop-2-enyl)phenanthrene-1,4-dione (1), (RS)-, (R)-, and (S)-2--1-methylethyl)acetate (2, 31, and 32, resp.), 3-hydroxy-7,8-dimethyl-2-(prop-2-enyl)phenanthrene-1,4-dione (3), 3-hydroxy-7,8,10-trimethyl-2-(prop-2-enyl)phenanthrene-1,4-dione (4), 5,7,8-trimethyl-2-(prop-2-enyl)phenanthrene-1,4-dione (17) and 3-hydroxy-2-methylphenanthrene-1,4-dione (42).The quinones 1 and 3 proved to be identical with recently isolated plectranthons A and C.Compounds 2, 31, and 32 exhibited the same UV/VIS, IR, 1H-NMR and mass spectra as natural plectranthon B, but had different melting points.This might be due either to crystal modifications or to diastereoisomerism caused by the helical structure of the phenanthrene-1,4-dione skeleton.The spectral data of synthetic 4 were not compatible with those of natural plectranthon D for which structure 4 had been proposed based mainly on 1H-NMR arguments concerning the chemical shifts of H-C(9) and H-C(10) in 1-3.Extensive 1H-NMR investigations have now revealed that the currently stated assignments of the H-C(9)/H-C(10) AB system have to be reversed for highly substituted phenanthrene-1,4-diones: in the model compounds 2-methylphenanthrene-1,4-dione (41) and 2, H-C(10) resonates at lower field as expected (peri-position), whereas in the highly substituted congeners 1, 2, 3, 31, and 32, H-C(9) is shifted paramagnetically, a fact which had lead to the erroneous assignment of structure 4 for natural plectranthon D.