Isobutyl 1,2-dihydro-2-isobutoxy-1-quinolinecarboxylate
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Isobutyl 1,2-dihydro-2-isobutoxy-1-quinolinecarboxylate

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Category
Peptide Synthesis Reagents
Catalog number
BAT-006427
CAS number
38428-14-7
Molecular Weight
303.40
Isobutyl 1,2-dihydro-2-isobutoxy-1-quinolinecarboxylate
IUPAC Name
2-methylpropyl 2-(2-methylpropoxy)-2H-quinoline-1-carboxylate
Synonyms
IIDQ; 1-Isobutoxycarbonyl-2-isobutoxy-1,2-dihydroquinoline; 2-Isobutoxy-1-isobutoxycarbonyl-1,2-dihydroquinoline; Isobutyl 2-isobutoxyquinoline-1(2H)-carboxylate
Appearance
Colorless Transparent Liquid
Purity
95% (HPLC)
Density
1.022 g/mL at 25 °C
Boiling Point
140.0-142.0 °C at 0.2 mmHg
Storage
2-8 °C
InChI
InChI=1S/C18H25NO3/c1-13(2)11-21-17-10-9-15-7-5-6-8-16(15)19(17)18(20)22-12-14(3)4/h5-10,13-14,17H,11-12H2,1-4H3
InChI Key
LPBHYOYZZIFCQT-UHFFFAOYSA-N
Canonical SMILES
CC(C)COC1C=CC2=CC=CC=C2N1C(=O)OCC(C)C
1. 2-Isobutyl-6-phenyl-imidazo[2,1-b][1,3,4]thia-diazole
Hoong-Kun Fun, Madhukar Hemamalini, D Jagadeesh Prasad, Prakash Anil Castelino, V V Anitha Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 8;67(Pt 2):o254. doi: 10.1107/S1600536810053201.
In the title compound, C(14)H(15)N(3)S, the imidazo[2,1-b][1,3,4]thia-diazole fused-ring system is close to planar, with a maximum deviation of 0.042 (1) Å, and the dihedral angle between it and the phenyl ring is 24.21 (6)°. The isobutyl group is disordered over two sets of sites in a 0.899 (9):0.101 (9) ratio. In the crystal, weak aromatic π-π stacking inter-actions involving the imidazole and thia-diazole rings with a centroid-centroid distance of 3.8067 (7) Å occur.
2. 2-(4-Isobutyl-phen-yl)-1-(morpholin-4-yl)propan-1-one
Nasirullah, Nazar Ul Islam, M Nawaz Tahir, Ikhtiar Khan, Muhammad Zulfiqar Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2637. doi: 10.1107/S1600536812033442. Epub 2012 Aug 4.
In the title compound, C(17)H(25)NO(2), the morpholine ring adopts a chair conformation. The benzene ring makes a dihedral angle of 39.81 (13)° with the basal plane of the morpholine group.
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