The Chlorination of Some 4-Chloro-2,6-dimethylphenols. Some Addition Reactions of Substituted 4,6-Dichloro-2,6-dimethylcyclohexa-2,4-dienones

1992 ◽  
Vol 45 (2) ◽  
pp. 337 ◽  
Author(s):  
JLM Gordon ◽  
MP Hartshorn ◽  
RJ Martyn ◽  
WT Robinson ◽  
GJ Wright
Keyword(s):  
Acetic Acid ◽  
Crystal Structures ◽  
Sodium Acetate ◽  
Addition Reactions ◽  
X Ray

Reactions of 4,6-dichlorocyclohexa-2,4dienone (4c) with chlorine in acetic acid and with chlorine in acetic acid containing sodium acetate are described, as are the corresponding reactions for a mixture of the 4,5,6-trichloro-(4b) and 3,4,6-trichloro-cyclohexa-2,4-dienone (5b). X-Ray crystal structures are reported for compounds (3b), (7), (9b), (11) and (13).

Metal Phenoxyalkanoic Acid Interactions. XXV. The Crystal Structures of (2-Formyl-6-Methoxyphenoxy)Acetic Acid and Its Zinc(II) Complex and the Lithium, Zinc(II) and Cadmium(II) Complexes of (2-Chlorophenoxy)Acetic Acid

1987 ◽  
Vol 40 (7) ◽  
pp. 1147 ◽  
Author(s):  
EJ Oreilly ◽  
G Smith ◽  
CHL Kennard ◽  
TCW Mak
Keyword(s):  
Acetic Acid ◽  
Crystal Structures ◽  
Free Acid ◽  
Rotational Symmetry ◽  
Carboxyl Groups ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Third ◽  
Planar Complex ◽  
Hydrogen Bonded

The crystal structures of (2-formyl-6-methoxyphenoxy)acetic acid (1), diaquabis [(2-formyl-6-methoxyphenoxy) acetato ]zinc(11) (2), tetraaquabis [(2-chlorophenoxy) acetato ]zinc(11) (3), triaquabis [(2-chlorophenoxy) acetato ]cadmium(11) dihydrate (4) and lithium (2-chloro- phenoxy )acetate 1.5 hydrate (5) have been determined by X-ray diffraction. The acid (1) forms centrosymmetric hydrogen-bonded cyclic dimers [O…0, 2.677(6) �] which are non-planar. Complex (2) is six-coordinate with two waters [Zn- Ow , 1.997(2) �] and four oxygens from two asymmetric bidentate carboxyl groups [Zn-O, 2.073, 2.381(2) �] completing a skew trapezoidal bipyramidal stereochemistry. Complex (5) is also six-coordinate but is octahedral, with two trans-related unidentate carboxyl oxygens [mean Zn-O, 2.134(9) �] and four waters [mean Zn-O, 2.081(9) �]. The seven-coordinate complex (4) has crystallographic twofold rotational symmetry relating two :symmetric bidentate acid ligands [ Cd -O, 2.26, 2 48(:) �] and two waters [ Cd -O, 2.34(2) �] while the third water lies on this axis [ Cd -O, 2.27(2) �]. In contrast to the monomers (2)-(4), complex (5) is polymeric with tetrahedral lithium coordinated to one water and three carboxylate oxygens [mean Li-0, 1.95(1) �]. The essential conformation of the free acid is retained in complexes (2), (3) and (4) but in (5), it is considerably changed.

The Chlorination of 4-Chloro-2,3,6-trimethylphenol. Some Addition-Reactions of 4,6-Dichlorocyclohexa-2,4-dienones

1990 ◽  
Vol 43 (10) ◽  
pp. 1729 ◽  
Author(s):  
MP Hartshorn ◽  
KA Hayman ◽  
RJ Martyn ◽  
WT Robinson ◽  
J Vaughan ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Nitrogen Dioxide ◽  
Sodium Acetate ◽  
Addition Reactions ◽  
Structure Determinations

Reaction of a mixture of 6-chlorocyclohexa-2,4-dienones (4) and (5) with chlorine in acetic acid gives the tetrachloro ketones (2) and (3), the major products of chlorination of 2,3,6-trimethylphenol (1a) or 4-chloro-2,3,6-trimethylphenol (1b). Reactions of this mixture of 6- chlorocyclohexa-2,4-dienones (4) and (5) in acetic acid with chlorine acetate, chlorine, chlorine in the presence of sodium acetate, and in benzene with nitrogen dioxide are described. -Ray crystal structure determinations are reported for compounds (3), (6)-(8) and (11)-(13).

Molecular Cocrystals of Carboxylic Acids. IX. Carboxylic Acid Interactions With Organic Heterocyclic Bases. The Crystal Structures of the Adducts of (2,4-Dichlorophenoxy)acetic Acid With 3-Hydroxypyridine, 2,4,6-Trinitrobenzoic Acid With 2-Aminopyrimidine, and 4-Nitrobenzoic Acid With 3-Amino-1,2,4-triazole

1992 ◽  
Vol 45 (6) ◽  
pp. 969 ◽  
Author(s):  
KA Byriel ◽  
CHL Kennard ◽  
DE Lynch ◽  
G Smith ◽  
JG Thompson
Keyword(s):  
Acetic Acid ◽  
Carboxylic Acid ◽  
Crystal Structures ◽  
Carboxylic Acids ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
X Ray ◽  
Nitrobenzoic Acid ◽  
Dichlorophenoxy Acetic Acid ◽  
Heterocyclic Bases

The cocrystal adducts of a number of carboxylic acids with organic heterocyclic bases have been prepared, and their structures and intermolecular interactions interpreted through X-ray diffraction and infrared spectroscopic techniques. The crystal structures of three of these compounds, the 1 : 1 adducts [{(2,4-dich1orophenoxy)acetic acid)(3-hydroxypyridine)] (1), [(2,4,6-trinitrobenzoie acid)(2-aminopyrimidine)] (2), and [(4-nitrobenzoic acid)(3-amino- 1,2,4-trimole)] (3), have been determined by single-crystal X-ray diffraction and refined to residuals R 0.026, 0.033 and 0.040 for 1814, 1531 and 727 observed reflections, respectively.

Molecular Cocrystals of Carboxylic Acids. I. The Crystal Structures of the Adducts of Indole-3-acetic-Acid With Pyridin-2(1H)-one, 3,5-Dinitrobenzoic Acid and 1,3,5-Trinitrobenzene

1991 ◽  
Vol 44 (6) ◽  
pp. 809 ◽  
Author(s):  
DE Lynch ◽  
G Smith ◽  
KA Byriel ◽  
CHL Kennard
Keyword(s):  
Acetic Acid ◽  
Solid State ◽  
Crystal Structures ◽  
Benzene Ring ◽  
Solid State Reaction ◽  
Plant Hormone ◽  
Parent Compound ◽  
X Ray Diffraction ◽  
X Ray ◽  
Indole 3 Acetic Acid

Three molecular cocrystal adducts of the plant hormone indole-3-acetic acid ( iaa ) have been prepared and their structures determined by X-ray diffraction. They are indole-3-acetic acid-bis [pyridin-2(1H)-one] (1), indole-3-acetic acid-3,5-dinitrobenzoic acid (2) and indole-3-acetic acid-1,3,5-trinitrobenzene (3). Complexes (2) and (3), which may be prepared in a solid-state reaction, are orange and are structurally similar, having significant π-π indole -benzene ring interactions. However, the colourless complex (1) shows no π-π ring interactions. In complex (2), the 3,5-dinitrobenzoic acid molecules form hydrogen-bonded cyclic dimers (O…O, 2.64 Ǻ), while in (3) the indole-3-acetic acid molecules form dimers (O…O, 2.66 Ǻ). This feature contrasts with the structure of adduct (1) in which the pyridin-2(1H)-one molecules exist as dimers [N…O, 2.79, 2.74 Ǻ] analogous to those found in the parent compound.

Metallkomplexe mit biologisch wichtigen Liganden, CIV [1]. ortho-Palladierte Komplexe von N,N-Dimethyl-C-phenyl-glycinmethylester. Synthese von α-Aminosäure-Derivaten durch Insertion von Isocyaniden, CO, Alkenen und Alkinen in die Pd-C-Bindung / Metal Complexes of Biologically Important Ligands, CIV [ 1]. ortho-Palladated Complexes of N,N-Dimethyl-C-phenylglycine-methylester. Synthesis of α-Amino Acid Derivatives by Insertion of Isocyanides, CO, Alkenes, and Alkynes into the Pd-C Bond

1998 ◽  
Vol 53 (4) ◽  
pp. 448-458 ◽  
Author(s):  
Andreas Böhm ◽  
Kurt Polborn ◽  
Karlheinz Sünkel ◽  
Wolfgang Beck
Keyword(s):  
Acetic Acid ◽  
Amino Acid ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Trinuclear Complex ◽  
Amino Acid Derivatives ◽  
X Ray Diffraction ◽  
X Ray ◽  
Derivatives Of ◽  
Amine Ligand

Abstract N,N-Dimethyl-C-phenylglycinemethylester reacts with Pd(OAc)2 in acetic acid to give the orthopalladated, acetato bridged complex 1. Treatment of 1 with sodium halide affords the chloro, bromo, and iodo bridged compounds [Me2NC(H)(CO2Me)C6H4PdX]2 (2a -c) (X = halide). From 2a and 1,1′-bis(diphenylphosphino)ferrocene the phosphine bridged trinuclear complex 3 is obtained. Substitution of the amine ligand of 2a by the phosphino group is observed for the reaction of 2a with Ph2PC(Me)C(Me)PPh2. Insertion of 2,6-dimethyl-phenylisocyanide, CO, alkyl-vinyl-ketones, and diphenylacetylene into the Pd-C bond o f 2a -c provides the orthosubstituted organic and organometallic derivatives of phenylglycine 6a -c, 7, 8a -b and 9a -c. The crystal structures of 1, 4a, 6a, 7 and 9a were determined by X-ray diffraction.

The nitration of 3,4,5-tribromo-2,6-dimethylphenol; X-ray crystal structures of C 2-epimeric 3,4,5-tribromo-6-hydroxy-2,6-dimethyl-2,5-dinitrocyclohex-3-enones ;an unusual isomerization reaction

1982 ◽  
Vol 35 (11) ◽  
pp. 2229 ◽  
Author(s):  
AM Chittenden ◽  
MP Hartshorn ◽  
KE Richards ◽  
WT Robinson ◽  
KH Sutton ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Nitric Acid ◽  
Single Crystal ◽  
Crystal Structures ◽  
Structural Data ◽  
Isomerization Reaction ◽  
X Ray ◽  
Fuming Nitric Acid

Nitration of 3,4,5-tribromo-2,6-dimethylphenol (10) with fuming nitric acid in acetic acid gives the C2-epimeric 2,5-dinitrocyclohex-3-enones (11) and (12), the structures of which were determined by single-crystal X-ray analyses. Some implications of these structural data are discussed.

Structure Systematics of Auxin Herbicides. XXX. The Crystal Structures of (2-Isopropylphenoxy)-acetic Acid, (4-Fluorophenoxy)acetic Acid, (2,4-Dichloro-5-fluorophenoxy)acetic Acid and (Indol-3-ylthio)acetic Acid

1992 ◽  
Vol 45 (7) ◽  
pp. 1101 ◽  
Author(s):  
G Smith ◽  
DE Lynch ◽  
DS Sagatys ◽  
CHL Kennard ◽  
GF Katekar
Keyword(s):  
Acetic Acid ◽  
Crystal Structures ◽  
Plant Hormone ◽  
Side Chains ◽  
X Ray Diffraction ◽  
Natural Plant ◽  
Ring Systems ◽  
X Ray ◽  
Auxin Herbicides ◽  
Indole 3 Acetic Acid

The crystal structures of four analogues of the auxin herbicide series, including inactive examples, have been determined by X-ray diffraction methods. The compounds (2-isopropy1phenoxy)acetic acid (1), (4-fluorophenoxy)acetic acid (2) and (2,4-dichloro-5-fluorophenoxy)acetic acid (3) are from the phenoxyalkanoic acid series while (indol-3-ylthio)acetic acid (4) is the sulfur analogue of the natural plant hormone indole-3-acetic acid. All examples exist as hydrogen-bonded cyclic dimers [O…O, 2.640(7), 2.62(1), 2.637(4) and 2.665(4) � for (1)-(4), respectively]. Compounds (1) and (2) are essentially planar while compounds (3) and (4) have side chains anticlinally related to the ring systems, similar to (2,4-dich1orophenoxy)acetic acid and to indole-3-acetic acid.

Nucleophilic addition reactions to the allenylidene complex [Cp∗RuCCCPh2(CO)(PMeiPr2)]+: X-ray crystal structures of , , and

2004 ◽  
Vol 689 (17) ◽  
pp. 2776-2785 ◽  
Author(s):  
Manuel Jiménez-Tenorio ◽  
M. Dolores Palacios ◽  
M. Carmen Puerta ◽  
Pedro Valerga
Keyword(s):  
Crystal Structures ◽  
Nucleophilic Addition ◽  
Addition Reactions ◽  
X Ray ◽  
Allenylidene Complex

ChemInform Abstract: Synthesis, X-Ray Crystal Structures and Horner-Wittig Addition Reactions of Some Protected β-Aminophosphine Oxides.

ChemInform ◽  
2010 ◽  
Vol 33 (36) ◽  
pp. no-no
Author(s):  
Neil Feeder ◽  
David J. Fox ◽  
Jonathan A. Medlock ◽  
Stuart Warren
Keyword(s):  
Crystal Structures ◽  
Addition Reactions ◽  
X Ray
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