494833-75-9

Basic information

• Product Name: 2-BROMO-4-(N-TERT-BUTYLOXYCARBONYLAMINO)THIOPHENE
• Synonyms: 2-BROMO-4-(N-TERT-BUTYLOXYCARBONYLAMINO)THIOPHENE;3-N-Boc-amino-5-bromothiophene;tert-butyl 5-broMothiophen-3-ylcarbaMate;2-Bromo-4-(N-tert-butyloxycarbonylamino)
• CAS NO: 494833-75-9
• Molecular Formula: C₉H₁₂BrNO₂S
• Molecular Weight: 278.17
• EINECS: 200-258-5
• Mol File: 494833-75-9.mol
• Article Data: 5

Chemical Properties

• Melting Point: 88-91 °C(Solv: cyclohexane (110-82-7))
• Boiling Point: 276.78°C at 760 mmHg
• Flash Point: 121.192°C
• Appearance: /
• Density: 1.511g/cm³
• Vapor Pressure: 0.005mmHg at 25°C
• Refractive Index: 1.591
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 13.03±0.70(Predicted)
• CAS DataBase Reference: 2-BROMO-4-(N-TERT-BUTYLOXYCARBONYLAMINO)THIOPHENE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-4-(N-TERT-BUTYLOXYCARBONYLAMINO)THIOPHENE(494833-75-9)
• EPA Substance Registry System: 2-BROMO-4-(N-TERT-BUTYLOXYCARBONYLAMINO)THIOPHENE(494833-75-9)

Safety Data

• Hazardous Substances Data: 494833-75-9(Hazardous Substances Data)

Usage

General Description

2-Bromo-4-(N-tert-butyloxycarbonylamino)thiophene is a chemical compound with the molecular formula C12H14BrNO3S. It is a brominated derivative of thiophene which contains a tert-butyloxycarbonylamino group attached to the nitrogen atom. 2-BROMO-4-(N-TERT-BUTYLOXYCARBONYLAMINO)THIOPHENE is used in organic synthesis and pharmaceutical research as a building block for the synthesis of various biologically active molecules. It has a wide range of applications in the production of pharmaceuticals, agrochemicals, and materials science. Additionally, it is also used as a starting material in the synthesis of various heterocyclic compounds.

InChI:InChI=1/C9H12BrNO2S/c1-9(2,3)13-8(12)11-6-4-7(10)14-5-6/h4-5H,1-3H3,(H,11,12)

Upstream product

• 1373346-87-2 C₅H₂BrNOS 
• 75-65-0 tert-butyl alcohol 
• 100523-84-0 2-bromothiophene-4-carboxylic acid 

Relevant articles and documents

SULFONYLUREA DERIVATIVES AND USES THEREOF

The present disclosure relates to compounds of Formula (I) and to their prodrugs, pharmaceutically acceptable salts, pharmaceutical compositions, methods of use, and methods for their preparation. The compounds disclosed herein are useful for inhibiting the maturation of cytokines of the IL-1 family by inhibiting inflammasomes and may be used in the treatment of disorders in which inflammasome activity is implicated, such as inflammatory, autoinflammatory and autoimmune diseases and cancers.

Polycyclic aromatics with flanking thiophenes: Tuning energy level and band gap of conjugated polymers for bulk heterojunction photovoltaics

In the pursuit of donor-acceptor low band gap polymers for photovoltaic applications, finding an optimal donor monomer which maximizes the photovoltaic efficiency is a complex synthetic optimization problem. We synthesized three different bithiophenes flanking a center aromatic ring (pyrrole, benzene, or pyridine) as the donor monomers (DTPr, DTBn, and DTPn) with decreasing electron-donating ability. An array of six electrochemically and optically unique polymers were prepared by copolymerizing these three monomers with 2,1,3-benzothiadiazole and with thiophene. The optical, electronic, and photovoltaic properties of these polymers were investigated. Among this series, we found that the HOMO energy level of the polymer is dominated by the most electron-rich ring in the polymer backbone. The optical band gap, conversely, involves the entire polymeric system. Among the three donor monomers investigated, we identified that DTBn-based polymers exhibited the most potential in photovoltaic applications due to their moderately low band gaps and low HOMO energy levels.

THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2

The invention relates to thiophene carboxamides of formula (I) wherein Ar, R1, R2, R3, R4, R5, m and n are as defined in the specification, processes and intermediates used in their preparation, pharmaceutical compositions containing them and their use in therapy.