Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,6-Di-tert-butyl-4-(3-chloro-2-hy-droxy-prop-yl)phenol.

ABSTRACT: In the title 2-propanol derivative, C(17)H(27)ClO(2), the two tert-butyl groups both have one methyl C atom lying in the plane of the aromatic ring. In the crystal, the phenol group forms a hydrogen bond to the hy-droxy O atom belonging to the alkyl substituent of an adjacent mol-ecule, forming a chain along the ac diagonal. The Cl atom is disordered over two positions in a 0.73?(4):0.27?(4) ratio.

SUBMITTER: Asgarova AR

PROVIDER: S-EPMC3099772 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,6-Di-tert-butyl-4-(3-chloro-2-hy-droxy-prop-yl)phenol.

Asgarova Ayten R AR Maharramov Abel M AM Khalilov Ali N AN Gurbanov Atash V AV Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20110312 Pt 4

In the title 2-propanol derivative, C(17)H(27)ClO(2), the two tert-butyl groups both have one methyl C atom lying in the plane of the aromatic ring. In the crystal, the phenol group forms a hydrogen bond to the hy-droxy O atom belonging to the alkyl substituent of an adjacent mol-ecule, forming a chain along the ac diagonal. The Cl atom is disordered over two positions in a 0.73 (4):0.27 (4) ratio. ...[more]

PMID: 21754133

Similar Datasets

4-[3-(Benzyl-amino)-2-hy-droxy-prop-yl]-2,6-di-tert-butyl-phenol.

Project description:In the title compound, C(24)H(35)NO(2), the planes of the two aromatic rings form a dihedral angle of 72.76?(4)°. In the crystal, mol-ecules are linked by O-H?O and O-H?N hydrogen-bond inter-actions, forming an extended two-dimensional framework parallel to the ab plane.

| S-EPMC3213475 | biostudies-literature

2,6-Di-tert-butyl-4-(methoxy-meth-yl)phenol.

Project description:The title compound, C(16)H(26)O(2), was easily obtained in high yield when 4-bromo-methyl-2,6-di-tert-butyl-phenol was reacted with methanol. There are two independent mol-ecules in the asymmetric unit. The meth-oxy group in each of the independent mol-ecules was found to be disordered, with site-occupation factors of 0.8728?(18)/0.1272?(18) and 0.8781?(17)/0.1219?(17).

| S-EPMC2960792 | biostudies-literature

2,6-Di-tert-butyl-4-(morpholinometh-yl)-phenol monohydrate.

Project description:In the title compound, C(19)H(31)NO(2)·H(2)O, the morpholine ring adopts a chair conformation, while the phenolic hydroxyl group is sterically hindered by the adjacent tert-butyl groups. The crystal structure is stabilized by a number of O-H⋯O, O-H⋯N and C-H⋯O hydrogen-bonding inter-actions, involving both the organic and the solvent mol-ecules.

| S-EPMC2960252 | 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

2,4-Di-tert-butyl-6-({[2-(di-methyl-amino)-eth-yl](2-hy-droxy-benz-yl)amino}-meth-yl)phenol.

Project description:The title compound, C26H40N2O2, has both its N atoms in trigonal-pyramidal geometries. The mol-ecular structure is stabilized by O-H?N and C-H?O hydrogen bonds. In the crystal, C-H?? inter-actions lead to the formation of a supramolecular helical chain along the b-axis direction.

| S-EPMC4051019 | biostudies-literature

2,6-Di-tert-butyl-4-(dimethyl-amino-meth-yl)phenol.

Project description:The title compound, C(17)H(29)NO, is an important hindered phenol derivative. The asymmetric unit contains two mol-ecules. Molecules inter-act through O-H⋯N hydrogen bonds to form a tetramer arranged around a twofold rotation axis.

| S-EPMC2915276 | 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

Di-n-butyl-ammonium 2-[(3,5-di-tert-butyl-4-hy-droxy-benz-yl)sulfan-yl]benzoate.

Project description:The title salt, C(8)H(20)N(+)·C(22)H(27)O(3)S(-), is a proton-transfer compound derived from the recently reported parent carb-oxy-lic acid [Alhadi et al. (2010). Acta Cryst. E66, o1787] by the addition of a second equivalent of di-n-butyl-amine, yielding the di-n-butyl-ammonium carboxyl-ate salt. The structure of the carboxyl-ate anion resembles that of the parent carb-oxy-lic acid. The main difference lies in the position of the H atom in the 4-hy-droxy group. In the anion the O-H bond is perpendicular, rather than parallel, to the benzyl ring. This position appears to facilitate hydrogen bonding to an O atom of the carboxyl-ate group of a symmetry-related anion. In addition, there are three N-H⋯O hydrogen bonds. In contrast, the neutral species hydrogen bonds via a carboxylic acid dimer. The dihedral angle between the benzene rings in the anion is 79.19 (7)°.

| S-EPMC3007956 | biostudies-literature

Crystal structure of 2,4-di-<i>tert</i>-butyl-6-(hy-droxy-methyl)-phenol.

Project description:The title compound, C15H24O2, is an example of a phenol-based pendant-arm precursor. In the mol-ecule, the phenol hy-droxy group participates in an intra-molecular O-H⋯O hydrogen bond with the pendant alcohol group, forming an S(6) ring. This ring adopts a half-chair conformation. In the crystal, O-H⋯O hydrogen bonds connect mol-ecules related by the 31 screw axes, forming chains along the c axis. The C-C-O angles for the hy-droxy groups are different as a result of the type of hybridization for the C atoms that are involved in these angles. The C-C-O angle for the phenol hy-droxy group is 119.21 (13)°, while the angle within the pendant alcohol is 111.99 (13)°. The bond length involving the phenolic oxygen is 1.3820 (19) Å, which contrasts with that of the alcoholic oxygen which is 1.447 (2) Å. The former is conjugated with the aromatic ring and so leads to the observed shorter bond length.

| S-EPMC5095846 | biostudies-literature

Diethyl 2,2-bis-(3,5-di-tert-butyl-4-hy-droxy-benz-yl)malonate.

Project description:The title mol-ecule, C(37)H(56)O(6), possesses twofold symmetry, with the twofold axis passing through the quaternary C atom. In the crystal, neighbouring mol-ecules are linked via O-H?O hydrogen bonds involving the phenol OH group and the carbonyl O atom, forming chains propagating in [101]. Within these chains, rings are formed with an R(2) (2)(20) motif. There are also C-H?O inter-actions present within the rings.

| S-EPMC3275203 | 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