((1E,3E)-5-Bromo-penta-1,3-dienyl)- benzene - CAS 109529-98-8
Category:
Main Product
Product Name:
((1E,3E)-5-Bromo-penta-1,3-dienyl)- benzene
Catalog Number:
109529-98-8
Synonyms:
5-bromopenta-1,3-dienylbenzene; Benzene,(5-bromo-1,3-pentadien-1-yl)-; 109529-98-8; ACMC-20mcda; ((1E,3E)-5-BROMO-PENTA-1,3-DIENYL)-BENZENE; CTK4A6571
CAS Number:
109529-98-8
Molecular Weight:
223.10904;g/mol
Molecular Formula:
C11H11Br
Quantity:
Data not available, please inquire.
COA:
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MSDS:
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Canonical SMILES:
C1=CC=C(C=C1)C=CC=CCBr
InChI:
InChI=1S/C11H11Br/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-9H,10H2
InChIKey:
LRGFTYLEVZIJLF-UHFFFAOYSA-N
Chemical Structure
CAS 109529-98-8 ((1E,3E)-5-Bromo-penta-1,3-dienyl)- benzene

Reference Reading


1.N,N-dimethyl-N'-[(1E,2E)-3-(4-nitrophenyl)prop-2-enylidene]benzene-1,4-diamine and N,N-dimethyl-4-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]-1-naphthylamine.
Nesterov VV1, Suina A, Antipin MY, Timofeeva TV, Barlow S, Marder SR. Acta Crystallogr C. 2003 Nov;59(Pt 11):o625-8. Epub 2003 Oct 11.
Syntheses and X-ray structural investigations have been carried out for the two title compounds, viz. C(17)H(17)N(3)O(2), (I), and C(22)H(20)N(2)O(2), (II). The molecular skeleton of (I) is slightly non-planar; the dihedral angles between the conjugated linkage and the p-(dimethylamino)phenyl ring, and between the linkage and the p-nitrophenyl ring are 13.0 (2) and 13.8 (2) degrees, respectively. The dihedral angle between the slightly pyramidal dimethylamine substituent and the aromatic ring is 23.3 (1) degrees. The molecular skeleton of (II) is not planar; the dihedral angles between the conjugated linkage and the naphthalene ring, and between the linkage and the substituted phenyl ring are 36.1 (2) and 2.7 (3) degrees, respectively. The dimethylamine substituent in (II) has a pyramidal geometry; the dihedral angle between this substituent and the naphthalene ring is 71.7 (1) degrees. The dihedral angle between the nitro group and the plane of the substituted phenyl ring is 9.