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Home Bromides 131981-75-4
131981-75-4,MFCD01317591
Catalog No.:AA000ZXF

131981-75-4 | (E)-1-Bromo-4-(2-nitroprop-1-en-1-yl)benzene

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100mg
97%
in stock  
$84.00   $59.00
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250mg
97%
in stock  
$116.00   $81.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000ZXF
Chemical Name:
(E)-1-Bromo-4-(2-nitroprop-1-en-1-yl)benzene
CAS Number:
131981-75-4
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
MDL Number:
MFCD01317591
SMILES:
C/C(=C\c1ccc(cc1)Br)/[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
214  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
3.2  

Upstream Synthesis Route

[1]TetrahedronLetters,1985,vol.26,#32,p.3777-3778

[1]Tetrahedron,2008,vol.64,#27,p.6294-6299

[2]TetrahedronLetters,1986,vol.27,#33,p.3843-3844

[3]ChemicalCommunications,2016,vol.52,#65,p.10060-10063

[4]MedicinalChemistry,2018,vol.14,#2,p.181-199

[5]Patent:US6303816,2001,B1,

[6]AngewandteChemie-InternationalEdition,2013,vol.52,#15,p.4235-4238

[7]Angew.Chem.,2013,vol.125,#15,p.4329-4332,4

[8]ChemicalCommunications,2014,vol.50,#64,p.8878-8881

[1]BulletinoftheAcademyofSciencesoftheUSSR,DivisionofChemicalScience(EnglishTranslation),1991,vol.40,#2.2,p.366-372

[2]IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1991,#2,p.426-433

[1]AdvancedSynthesisandCatalysis,2008,vol.350,#13,p.1975-1978

[1]EuropeanJournalofOrganicChemistry,2015,vol.2015,#26,p.5712-5715

Downstream Synthesis Route

[1]TetrahedronLetters,1985,vol.26,p.3777-3778

[1]TetrahedronLetters,1986,vol.27,p.3843-3844

131981-75-4   
C9H9BrNO3(1-) 

[1]IndianJournalofChemistry,SectionA:Inorganic,Physical,TheoreticalandAnalytical,1991,vol.30,p.272-274

[1]SyntheticCommunications,1990,vol.20,p.2453-2458

[1]SyntheticCommunications,1988,vol.18,p.693-698

Literature

Title: Massive screening yields novel and selective Trypanosoma cruzi triosephosphate isomerase dimer-interface-irreversible inhibitors with anti-trypanosomal activity.

Journal: European journal of medicinal chemistry 20101201

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SDS
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Tags:131981-75-4 Molecular Formula|131981-75-4 MDL|131981-75-4 SMILES|131981-75-4 (E)-1-Bromo-4-(2-nitroprop-1-en-1-yl)benzene