Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-tert-Butyl-2-methyl-propanamide.

ABSTRACT: The title compound, C(8)H(17)NO, crystallizes with two independent mol-ecules in the asymmetric unit. In the crystal, inter-molecular N-H?O hydrogen bonding is observed between neighboring mol-ecules, forming continuous mol-ecular chains along the c-axis direction.

SUBMITTER: Kluge KA

PROVIDER: S-EPMC3213582 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-tert-Butyl-2-methyl-propanamide.

Kluge Kelly A KA Fridyland Diana D Macbeth Cora E CE Hardcastle Kenneth I KI

Acta crystallographica. Section E, Structure reports online 20110730 Pt 8

The title compound, C(8)H(17)NO, crystallizes with two independent mol-ecules in the asymmetric unit. In the crystal, inter-molecular N-H⋯O hydrogen bonding is observed between neighboring mol-ecules, forming continuous mol-ecular chains along the c-axis direction. ...[more]

PMID: 22091159

Similar Datasets

3-Bromo-N-(3,5-di-tert-butyl-phen-yl)propanamide.

Project description:The title compound, C17H26BrNO, exhibits a small twist between the amide residue and the benzene ring [C-N-C-C torsion angle = 29.4?(5)°]. In the crystal, the amido NH group is involved in N-H?O hydrogen bonding, which connects mol-ecules into chains parallel to the c axis.

| S-EPMC4120558 | biostudies-other

tert-Butyl 2-benzoyl-2-methyl-propanoate.

Project description:The title compound, C(15)H(20)O(3), is bent with a dihedral angle of 67.28?(9)° between the mean planes of the phenyl ring and a group encompassing the ester functionality (O=C-O-C). In the crystal, mol-ecules related by inversion symmetry are connected by weak C-H?O inter-actions into infinite chains. On one side of the mol-ecule there are two adjacent inter-actions between neighbouring mol-ecules involving the H atoms of methyl groups from the dimethyl groups and the O atoms of the ketone; on the other side, there are also two inter-actions to another adjacent mol-ecule involving the H atoms on the phenyl rings and the carbonyl O atoms of the ester functionality.

| S-EPMC2979963 | biostudies-literature

tert-Butyl 2-methyl-2-(4-methyl-benzo-yl)propanoate.

Project description:The title compound, C(16)H(22)O(3), is bent with a dihedral angle of 75.3 (1)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C-O-C). In the crystal, the mol-ecules are linked into infinite chains held together by weak C-H⋯O hydrogen-bonded inter-actions between an H atom on the benzene ring of one mol-ecule and an O atom on the ketone functionality of an adjacent mol-ecule. The chains are arranged with neighbouring tert-butyl and dimethyl groups on adjacent chains exhibiting hydro-phobic stacking, with short C-H⋯H-C contacts (2.37 Å) between adjacent chains.

| S-EPMC2979969 | biostudies-literature

tert-Butyl N-(4-methyl-2-pyrid-yl)-carbamate.

Project description:The crystal structure of the title compound, C(11)H(16)N(2)O(2), contains two crystallographically independent mol-ecules forming dimers by pairs of inter-molecular N-H?N hydrogen bonds. The two mol-ecules are related by a pseudo-twofold axis. The dihedral angle between the pyridine ring and the carbamate plane differs in the two mol-ecules [12.1?(3) and 3.5?(3)°].

| S-EPMC2959623 | biostudies-literature

Expression data from zebrafish (Danio rerio) embryos exposed to methyl tert-butyl ether

2013-09-01 | GSE46371 | GEO

Expression data from zebrafish (Danio rerio) embryos exposed to methyl tert-butyl ether

Project description:Methyl tert-butyl ether (MTBE) has been shown to target developing vasculature in piscine and mammalian model systems. In the zebrafish, MTBE induces vascular lesions throughout development. These lesions result from exposure to MTBE at an early stage in development (6-somites to Prim-5 stages). During this time period, transcript levels of vegfa, vegfc, and vegfr1 were significantly decreased in embryos exposed to 5 mM MTBE. We performed global gene analysis as an unbiased approach to discover possible modes of action of MTBE vascular toxicity. Embryos were exposed at 3 hours post fertilization (hpf) in triplicate to one of three concentrations of MTBE: 5mM (induces vascular lesions and significantly decreases vegfa), 0.625mM (NOAEL; no observed adverse effect level), and 0.00625mM (100-fold below NOAEL), or to embryo media (control). Samples were collected at 6-somites (~15hpf), 21-somites (~24 hpf), and Prim-5 (~30 hpf) stages of development. Embryos were meticulously staged at exposure and at the time of collection to maintain a homogeneous population. Our experimental design sought to explore the effect of three concentrations MTBE on three different stages of zebrafish embryonic development during the critical period established for the chemical. This time period also corresponds to an important time in the cardiovascular system develop of our model vertebrate.

2013-09-01 | E-GEOD-46371 | biostudies-arrayexpress

2,4-Di-tert-butyl-6-[1-(3,5-di-tert-butyl-2-hydroxy-phen-yl)eth-yl]phenyl 4-methyl-benzene-sulfonate.

Project description:The title compound, C(37)H(52)O(4)S, was obtained by the reaction of 6,6'-(ethane-1,1-di-yl)bis-(2,4-di-tert-butyl-phenol) and 4-methyl-benzene-1-sulfonyl chloride. The mol-ecular conformation is stabilized by an intra-molecular O-H?O hydrogen bond. Two of the tert-butyl groups are disordered over two sets of sites with occupancies 0.530?(15)/0.470?(15) and 0.615?(11)/0.385?(11).

| S-EPMC2968069 | biostudies-literature

2,6-Di-tert-butyl-4-[(N-methyl-anilino)meth-yl]phenol.

Project description:The title compound, C(22)H(31)NO, has been synthesized from 4-bromo-methyl-2,6-di-tert-butyl-phenol and N-methyl-aniline. There are two independent mol-ecules in the asymmetric unit. The aniline ring in each of the independent mol-ecules was found to be disordered, with site occupation factors 0.621?(10)/0.379?(10) and 0.605?(10)/0.395?(10).

| S-EPMC2960411 | biostudies-literature

4,4'-Di-tert-butyl-2,2'-[imidazolidine-1,3-diylbis(methyl-ene)]diphenol.

Project description:In the title compound, C25H36N2O2, the two tert-butyl-substituted benzene rings are inclined at an angle of 53.5?(3)° to one another. The imidazolidine ring has an envelope conformation with with one of the C atoms of the ethylene fragment as the flap. The structure displays two intra-molecular O-H?N hydrogen bonds that generate S(6) ring motifs. The crystal studied was a non-merohedral twin with a fractional contribution of 0.281(6) for the minor domain.

| S-EPMC3770425 | biostudies-literature

Lipid extraction by methyl-tert-butyl ether for high-throughput lipidomics.

Project description:Accurate profiling of lipidomes relies upon the quantitative and unbiased recovery of lipid species from analyzed cells, fluids, or tissues and is usually achieved by two-phase extraction with chloroform. We demonstrated that methyl-tert-butyl ether (MTBE) extraction allows faster and cleaner lipid recovery and is well suited for automated shotgun profiling. Because of MTBE's low density, lipid-containing organic phase forms the upper layer during phase separation, which simplifies its collection and minimizes dripping losses. Nonextractable matrix forms a dense pellet at the bottom of the extraction tube and is easily removed by centrifugation. Rigorous testing demonstrated that the MTBE protocol delivers similar or better recoveries of species of most all major lipid classes compared with the "gold-standard" Folch or Bligh and Dyer recipes.

| S-EPMC2311442 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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