Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tert-Butyl 1-hy-droxy-piperidine-2-carboxyl-ate.

ABSTRACT: The title compound, C(10)H(19)NO(3), is a disubstituted piperidine bearing substituents in two equatorial positions. One of the substituents is a hy-droxy group bound to nitro-gen and the second a tert-butyl ester group bound to the carbon next to the endocyclic nitro-gen. Enanti-omers of the title compound form hydrogen-bridged dimers across a center of inversion.

SUBMITTER: Brucher O

PROVIDER: S-EPMC3213507 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

tert-Butyl 1-hy-droxy-piperidine-2-carboxyl-ate.

Brücher Oliver O Bergsträsser Uwe U Kelm Harald H Hartung Jens J

Acta crystallographica. Section E, Structure reports online 20110716 Pt 8

The title compound, C(10)H(19)NO(3), is a disubstituted piperidine bearing substituents in two equatorial positions. One of the substituents is a hy-droxy group bound to nitro-gen and the second a tert-butyl ester group bound to the carbon next to the endocyclic nitro-gen. Enanti-omers of the title compound form hydrogen-bridged dimers across a center of inversion. ...[more]

PMID: 22091086

Similar Datasets

tert-Butyl 2-{[2,8-bis-(trifluoro-meth-yl)quinolin-4-yl](hy-droxy)meth-yl}piperidine-1-carboxyl-ate.

Project description:The title mol-ecule, C(22)H(24)F(6)N(2)O(3), adopts a folded conformation whereby the carboxyl-ate residue lies over the quinolinyl residue, with the dihedral angle between the carbamate and quinoline planes being 41.64 (7)°. Helical supra-molecular C(7) chains sustained by O-H⋯O hydrogen bonds propagating along the a-axis direction feature in the crystal packing. The F atoms of one of the CF(3) groups are disordered over two orientations; the major component has a site occupancy of 0.824 (7).

| S-EPMC3238966 | biostudies-literature

tert-Butyl 4-(3,4-dichloro-anilino)piperidine-1-carboxyl-ate.

Project description:In the title compound, C(16)H(22)Cl(2)N(2)O(2), the substituted piperidine ring adopts a chair conformation with both substituents in equatorial positions. In the crystal, N-H?O and C-H?O hydrogen bonds connect mol-ecules into ribbons along the a-axis direction.

| S-EPMC3569265 | biostudies-literature

(E)-tert-Butyl 4-(N'-hy-droxy-carbam--imid-o-yl)piperazine-1-carboxyl-ate.

Project description:In the title compound, C10H20N4O3, the piperazine ring adopts a chair conformation. The mol-ecule adopts an E conformation across the C=N double bond, with the -OH group and the piperazine ring trans to one another. Further, the H atom of the hy-droxy group is directed away from the NH2 group. An intra-molecular N-H⋯O contact occurs involving the NH2 group and the oxime O atom. In the crystal, mol-ecules are linked via strong N-H⋯O and O-H⋯N hydrogen bonds with alternating R2(2)(6) and C(9) motifs into tetra-meric units forming R4(4)(28) motifs.

| S-EPMC3588948 | biostudies-literature

tert-Butyl 3-carbamoyl-4-methoxy-imino-3-methyl-piperidine-1-carboxyl-ate.

Project description:In the title compound, C(13)H(23)N(3)O(4), the piperidine ring adopts a chair conformation. An intra-molecular N-H?O hydrogen bond is observed between the carbamoyl and carboxyl-ate groups. In the crystal structure, mol-ecules form inversion dimers linked by pairs of N-H?O hydrogen bonds.

| S-EPMC2968237 | biostudies-literature

tert-Butyl 4-(1-methyl-1H-pyrazol-5-yl)piperidine-1-carboxyl-ate.

Project description:The reaction of (E)-tert-butyl 4-[3-(dimethyl-amino)acrylo-yl]piperidine-1-carboxyl-ate with methyl-hydrazine leads to the formation of the title compound, C(14)H(23)N(3)O(2), with a 1-methyl-1H-pyrazol-5-yl substituent. The plane of the pyrazole ring forms a dihedral angle of 33.4 (1)° with the approximate mirror plane of the piperidine ring.

| S-EPMC2969088 | biostudies-literature

tert-Butyl 4-carbamoyl-3-methoxy-imino-4-methyl-piperidine-1-carboxyl-ate.

Project description:The title compound, C(13)H(23)N(3)O(4), was prepared starting from ethyl N-benzyl-3-oxopiperidine-4-carboxyl-ate through a nine-step reaction, including hydrogenation, Boc (tert-butoxy-carbon-yl) protection, methyl-ation, oximation, hydrolysis, esterification and ammonolysis. In the crystal structure, mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds to form a porous three-dimensional network with solvent-free hydro-phobic channels extending along the c axis.

| S-EPMC2960090 | biostudies-literature

Di-tert-butyl 1-[2-hy-droxy-3-(methyl-sulfan-yl)prop-yl]hydrazine-1,2-di-carboxyl-ate.

Project description:The title compound, C14H28N2O5S, was synthesized by the reaction of 2-[(methyl-sulfan-yl)meth-yl]oxirane with di-tert-butyl oxalate in hydrazine hydrate. In the crystal, mol-ecules are linked by N-H?O and O-H?O hydrogen bonds into supra-molecular chains propagating along the b-axis direction.

| S-EPMC4158484 | biostudies-literature

tert-Butyl 2-hy-droxy-3-(4-methyl-benzene-sulfonamido)-butano-ate.

Project description:In the crystal of the title compound, C(15)H(23)NO(5)S, mol-ecules are linked through N-H⋯O and O-H⋯O hydrogen-bond inter-actions, resulting in centrosymmetric dimers in which the N-H⋯O inter-actions generate R(2) (2)(12) rings and the O-H⋯O inter-actions generate R(2) (2)(14) rings. Weak inter-molecular C-H⋯O inter-actions are also observed.

| S-EPMC3052123 | biostudies-literature

tert-Butyl imidazole-1-carboxyl-ate.

Project description:In the title compound, C(8)H(12)N(2)O(2), mol-ecules are inter-connected by weak C-H?O contacts with H?O distances of 2.30?Å, resulting in the formation of chains along [100]. According to graph-set analysis, the unitary descriptor of these chains is C(5). In addition, there are ?-? stacking inter-actions between pyrazole rings (centroid distance = 3.878?Å and ring plane distance = 3.26?Å).

| S-EPMC2968161 | biostudies-literature

Methyl 2-[(3,5-di-tert-butyl-4-hy-droxy-benz-yl)sulfan-yl]pyridine-3-carboxyl-ate n-hexane hemisolvate.

Project description:The title solvated ester, C(22)H(29)NO(3)S·0.5C(6)H(14), crystallizes with two independent mol-ecules along with a hexane mol-ecule in the asymmetric unit. The two aromatic rings are separated by an -CH(2)-S- linkage; the rings are aligned at 83.27?(4)° in one mol-ecule and 47.66?(7)° in the other. The hy-droxy group of one mol-ecule forms an O-H?O hydrogen bond to the other mol-ecule.

| S-EPMC3379213 | biostudies-literature

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