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Tert-Butyl 3-oxo-2-oxa-5-aza-bicyclo-[2.2.1]heptane-5-carboxyl-ate.

ABSTRACT: The title compound, C(10)H(15)NO(4), also known as N-tert-butyl-oxycarbonyl-allohydr-oxy-l-proline lactone, is quite similar to N-acetyl-allohydr-oxy-l-proline lactone [Lenstra, Petit & Geise (1979 ?). Cryst. Struct. Commun. 8, 1023-1029], whereby both carbonyl groups point roughly in the same direction because of the trans conformation of the peptide bond.

SUBMITTER: Lechner MC

PROVIDER: S-EPMC2959344 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

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tert-Butyl 3-oxo-2-oxa-5-aza-bicyclo-[2.2.1]heptane-5-carboxyl-ate.

Lechner Marie-Charlotte MC Aubert Emmanuel E Guichard Gilles G Didierjean Claude C

Acta crystallographica. Section E, Structure reports online 20080930 Pt 10

The title compound, C(10)H(15)NO(4), also known as N-tert-butyl-oxycarbonyl-allohydr-oxy-l-proline lactone, is quite similar to N-acetyl-allohydr-oxy-l-proline lactone [Lenstra, Petit & Geise (1979 ▶). Cryst. Struct. Commun. 8, 1023-1029], whereby both carbonyl groups point roughly in the same direction because of the trans conformation of the peptide bond. ...[more]

PMID: 21201231

Similar Datasets

Crystal structure of benzyl 3-oxo-2-oxa-5-aza-bicyclo-[2.2.1]heptane-5-carboxyl-ate.

Project description:The title compound, C13H13NO4 (also known as N-benzyl-oxycarbonyl-4-hy-droxy-l-proline lactone), crystallizes with two mol-ecules in the asymmetric unit. They have slightly different conformations: the fused ring systems almost overlap, but different C-O-C-C torsion angles for the central chains of -155.5 (2) and -178.6 (2)° lead to different twists for the terminal benzene ring. In the crystal, the mol-ecules are linked by C-H⋯O inter-actions, generating a three-dimensional network. The absolute structure was established based on an unchanging chiral centre in the synthesis.

| S-EPMC4518953 | biostudies-literature

Crystal structure of (1R,4R)-tert-butyl 3-oxo-2-oxa-5-aza-bicyclo-[2.2.2]octane-5-carboxyl-ate.

Project description:In the title compound, C11H17NO4, commonly known as N-tert-but-oxy-carbonyl-5-hy-droxy-d-pipecolic acid lactone, the absolute configuration is (1R,4R) due to the enantiomeric purity of the starting material which remains unchanged during the course of the reaction. In the crystal there no inter-molecular hydrogen bonds.

| S-EPMC4518923 | biostudies-literature

Methyl 2-diphenyl-phosphor-yloxy-2-aza-bicyclo-[2.2.1]hept-5-ene-3-exo-carboxyl-ate.

Project description:In the title compound, C(20)H(20)NO(4)P, the dihedral angle between the phenyl rings is 68.52 (7)°. In the crystal structure, the mol-ecules are linked by a weak C-H⋯π(arene) inter-action along [010] involving the phenyl CH group and the phenyl rings. There are no further significant inter-molecular inter-actions.

| S-EPMC2968096 | biostudies-literature

tert-Butyl 6-oxo-2,7-diaza-spiro[4.4]nonane-2-carboxyl-ate.

Project description:In the title mol-ecule, C(12)H(20)N(2)O(3), both five-membered rings are in envelope conformations. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into chains along [010].

| S-EPMC3239116 | biostudies-literature

catena-Poly[[diaqua-copper(II)]-?-7-oxa-bicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato].

Project description:In the crystal structure of the title compound, [Cu(C(8)H(8)O(5))(H(2)O)(2)](n), the Cu(II) cation is in a Jahn-Teller distorted six-coordination by two O atoms from water molecules, by the bridging O atom from the bicyclo moiety, by two carboxylate O atoms from two different carboxylate groups and by one carboxylate O atom from a symmetry-related bridging ligand.The polymeric structure is made up from double-strands propagating parallel to the c axis that are held together via inter-molecular O-H?O hydrogen bonds.

| S-EPMC2968279 | 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

(S)-tert-Butyl 3-(3-phenyl-1,2,4-oxa-diazol-5-yl)piperidine-1-carboxyl-ate.

Project description:The title compound, C(18)H(23)N(3)O(3), crystallized with two independent mol-ecules (A and B) in the asymmetric unit. The phenyl ring and the 1,2,4-oxadiazole ring are inclined to one another by 19.9 (3)° in mol-ecule A and 7.3 (3)° in mol-ecule B. The absolute structure of the title compound was referred to the transfered chiral center (S) of one of the starting reacta-nts. In the crystal, A mol-ecules are linked by C-H⋯N inter-actions involving the two oxadiazole N atoms.

| S-EPMC3007067 | biostudies-literature

Tert-butyl 3-oxo-2,3,4,5,6,7-hexa-hydro-1H-pyrazolo[4,3-c]pyridine-5-carboxyl-ate.

Project description:In the title compound, C(11)H(17)N(3)O(3), the pyrazole ring is approximately planar, with a maximum deviation of 0.005?(2)?Å, and forms a dihedral angle of 5.69?(13)° with the plane through the six atoms of the piperidine ring. In the crystal, pairs of inter-molecular N-H?O hydrogen bonds form dimers with neighbouring mol-ecules, generating R(2) (2)(8) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the bc plane by inter-molecular N-H?O and C-H?O hydrogen bonds.

| S-EPMC2980051 | biostudies-literature

tert-Butyl 4-isopropyl-2-oxo-6-phenyl-3,4-dihydro-2H-pyran-3-carboxyl-ate.

Project description:In the title compound, C(19)H(24)O(4), the six-membered lactone ring adopts an envelope conformation with the tert-butoxy-carbonyl and isopropyl substituents in axial positions, and the phenyl group in an equatorial position. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2979271 | biostudies-literature

2-Ethyl-8-methoxy-methyl-4-oxo-4H-chromen-7-yl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo-[2.2.1]heptane-1-carboxyl-ate.

Project description:The title compound C(23)H(26)O(7), was prepared by esterification of 2-ethyl-7-hydr-oxy-8-methoxy-methyl-4H-chromen-4-one with (S)-(-)-camphanic chloride. The two rings of the chromone system are coplanar, making a dihedral angle of 1.99?(19)°, and the camphanoyl unit substituted at 7-O retains the original bicyclo-[2.2.1]heptane conformation of the starting reagent.

| S-EPMC2979559 | biostudies-literature

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