Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Ethyl 3-bromo-1-(3-chloro-pyridin-2-yl)-1H-pyrazole-5-carboxyl-ate.

ABSTRACT: The title compound, C(11)H(9)BrClN(3)O(2), is an inter-mediate in the synthesis of Rynaxypyre, a new insecticidal anthranilic diamide used as a potent and selective ryanodine receptor activator. The dihedral angle between the aromatic ring planes is 78.7?(2)°.

SUBMITTER: He HB

PROVIDER: S-EPMC2968002 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Ethyl 3-bromo-1-(3-chloro-pyridin-2-yl)-1H-pyrazole-5-carboxyl-ate.

He Hai-Bing HB Liu Shan S Tan Hai-Jun HJ Xia Ming M Zhu Hong-Jun HJ

Acta crystallographica. Section E, Structure reports online 20081213 Pt 1

The title compound, C(11)H(9)BrClN(3)O(2), is an inter-mediate in the synthesis of Rynaxypyre, a new insecticidal anthranilic diamide used as a potent and selective ryanodine receptor activator. The dihedral angle between the aromatic ring planes is 78.7 (2)°. ...[more]

PMID: 21581733

Similar Datasets

Ethyl 1-benzyl-3-(4-bromo-phen-yl)-1H-pyrazole-5-carboxyl-ate.

Project description:In the title compound, C(19)H(17)BrN(2)O(2), the pyrazole ring makes dihedral angles of 88.00?(16) and 5.78?(13)° with the phenyl and bromo-phenyl rings, respectively. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3212308 | biostudies-literature

Ethyl 1-(4-chloro-benz-yl)-3-phenyl-1H-pyrazole-5-carboxyl-ate.

Project description:In the title compound, C(19)H(17)ClN(2)O(2), the pyrazole ring makes dihedral angles of 6.97 (5) and 79.25 (1)°, respectively, with the phenyl and chlorophenyl rings, respectively. In the crystal, C-H⋯O hydrogen bonds are observed.

| S-EPMC3297926 | biostudies-literature

Ethyl 5-amino-1-(6-chloro-pyridazin-3-yl)-1H-pyrazole-4-carboxyl-ate.

Project description:In the title compound, C(10)H(10)ClN(5)O(2), the dihedral angle between the aromatic rings is 0.16?(9)°. Two S(6) ring motifs are formed due to intra-molecular N-H?N and N-H?O hydrogen bonds. In the crystal, inversion dimers linked by pairs of N-H?N hydrogen bonds generate R(2) (2)(14) [or R(4) (4)(10) via the intra-molecular hydrogen bonds] ring motifs. Polymeric chains propagating in [210] are formed as a result of inter-linking the dimers by pairs of C-H?N inter-actions, completing R(2) (2)(6) ring motifs.

| S-EPMC3008112 | biostudies-literature

Ethyl 1-(4-chloro-benz-yl)-3-(4-fluoro-phen-yl)-1H-pyrazole-5-carboxyl-ate.

Project description:In the title compound, C(19)H(16)ClFN(2)O(2), the pyrazole ring makes dihedral angles of 5.15?(6) and 77.72?(6)°, with the fluoro-phenyl and chloro-phenyl rings, respectively.

| S-EPMC3120511 | biostudies-literature

Ethyl 1-(2-bromo-eth-yl)-3-(4-meth-oxy-phen-yl)-1H-pyrazole-5-carboxyl-ate.

Project description:In the title compound, C(15)H(17)BrN(2)O(3), the dihedral angle between the benzene and pyrazole rings is 5.63 (2)°. The crystal packing is stabilized by weak π-π stacking inter-actions [centroid-centroid distance = 3.927 (5) Å] and inter-molecular C-H⋯O and C-H⋯Br hydrogen bonds.

| S-EPMC3414964 | biostudies-literature

Ethyl 5-amino-1-(4-chloro-2-nitro-phen-yl)-1H-pyrazole-4-carboxyl-ate.

Project description:In the mol-ecule of the title compound, C(12)H(11)ClN(4)O(4), the pyrazole ring is coplanar with the amino and ethoxy-carbonyl groups within 0.026?(2) and 0.105?(2)?Å, respectively. The C(6) ring of the 4-chloro-2-nitro-phenyl group is twisted by 53.58?(4)° relative to the plane of the pyrazole ring. The planar structure of the pyrazole ring is stabilized by an intra-molecular N-H?O hydrogen bond between its substituents. Neighbouring mol-ecules are linked through inter-molecular N-H?N and N-H?O hydrogen bonds, giving rise to one-dimensional tapes along the b axis. Mol-ecules in the chain are linked to those of an adjacent chain through weak C-H?O inter-actions, forming a three-dimensional network.

| S-EPMC2968147 | biostudies-literature

Ethyl 3-(4-chloro-phen-yl)-1-(2-oxo-2-phenyl-eth-yl)-1H-pyrazole-5-carboxyl-ate.

Project description:In the title compound, C(20)H(17)ClN(2)O(3), the dihedral angles between the pyrazole ring and the substituted and unsubstituted benzene rings are 3.64?(13) and 81.15?(17)°, respectively. Mol-ecules are connected via three pairs of weak hydrogen bonds into a centrosymmetric dimer. The crystal structure is stabilized by inter-molecular C-H?O and C-H?? inter-actions.

| S-EPMC3212303 | biostudies-literature

Ethyl 3-bromo-1-(3-chloro-2-pyrid-yl)-4,5-dihydro-1H-pyrazole-5-carboxyl-ate.

Project description:The title compound, C(11)H(11)BrClN(3)O(2), contains two mol-ecules in the asymmetric unit in which the dihedral angles between the pyrazole and pyridine rings are 30.0?(2) and 22.3?(2)°.

| S-EPMC2972119 | biostudies-other

Ethyl 5-amino-3-methyl-sulfan-yl-1H-pyrazole-4-carboxyl-ate.

Project description:In the title compound, C(7)H(11)N(3)O(2)S, bond lengths and angles are within normal ranges. The crystal packing is stabilized by inter-molecular N-H⋯O hydrogen bonds, linking the mol-ecules into infinite one-dimensional chains along the a axis.

| S-EPMC2959851 | biostudies-literature

Ethyl 3-ferrocenyl-1-(pyridin-2-ylmeth-yl)-1H-pyrazole-5-carboxyl-ate.

Project description:The title compound, [Fe(C(5)H(5))(C(17)H(16)N(3)O(2))], crystallizes with an essentially eclipsed conformation of the cyclo-penta-dienyl (Cp) rings. The unsubstituted ring is disordered over two positions with the major component being present 90?(1)% of the time. The substituted Cp ring, the pyrazole ring and three atoms of the eth-oxy-carbonyl group form a conjugated ?-system. These 13 atoms are coplanar within 0.09?Å.

| S-EPMC3254307 | biostudies-other

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data