2,3-Dibromo-N-methylmaleimide - ≥99% , CAS No.3005-27-4

CAS: 3005-27-4 Cat. No.: D474669 Peso molecular: 268.89 Número EC: 625-814-9

GRADE & PURITY ≥99%

Synonyms

N-Methyl-2,3-dibromomaleimide | 3,4-dibromo-1-methylpyrrole-2,5-dione | V5U5TK6UT5 | FT-0649322 | 3,4-bis(bromanyl)-1-methyl-pyrrole-2,5-dione | 3,4-Dibromo-N-methylpyrrole-2,5-dione | 3,4-Dibromo-N-methylmaleimide | 2,3-Dibromo-N-methylmaleimide, 99% | A

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Description

2,3-Dibromo-N-methylmaleimide can be used to synthesizebis-indolylmaleimides via reaction with indolyl magnesium bromide. It can also undergo mono-cross coupling with triorganoindium derivatives which can be further coupled with naphthodithiophene to form an intermediate for [5]thiahelicene synthesis.

Specifications

Sinónimos

N-Methyl-2, 3-dibromomaleimide | 3, 4-dibromo-1-methylpyrrole-2, 5-dione | V5U5TK6UT5 | FT-0649322 | 3, 4-bis(bromanyl)-1-methyl-pyrrole-2, 5-dione | 3, 4-Dibromo-N-methylpyrrole-2, 5-dione | 3, 4-Dibromo-N-methylmaleimide | 2, 3-Dibromo-N-methylmaleimide, 99% | A

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CN1C(=O)C(=C(C1=O)Br)Br
• IUPAC Name: 3,4-dibromo-1-methylpyrrole-2,5-dione
• InChIKey: CKITYUQKOJMMOI-UHFFFAOYSA-N
• INCHI: 1S/C5H3Br2NO2/c1-8-4(9)2(6)3(7)5(8)10/h1H3
• Isómeros SMILES: CN1C(=O)C(=C(C1=O)Br)Br
• WGK Alemania: 3
• RTECS: ON5125000
• Peso molecular: 268.89
• Reaxy-Rn: 129149
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=129149&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Nitrogen mustard compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Nitrogen mustard compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrogen mustard compounds
• Alternative Parents: Maleimides N-substituted carboxylic acid imides Vinylogous halides Pyrrolines Dicarboximides Vinyl bromides Bromoalkenes Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Nitrogen mustard - Maleimide - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrroline - Vinylogous halide - Carboxylic acid derivative - Azacycle - Vinyl bromide - Vinyl halide - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organobromide - Organohalogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 268.890 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 268.851 Da
• Monoisotopic Mass: 266.853 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 222.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1