50-30-6

Usage

Uses

Used in Pharmaceutical Industry:
2,6-Dichlorobenzoic acid is used as a key intermediate in the synthesis of Lux-S enzyme inhibitors, which play a significant role in the development of novel antibiotics targeting bacterial quorum sensing systems. These inhibitors can potentially disrupt bacterial communication and coordination, leading to the attenuation of virulence and biofilm formation.
Used in Chemical Synthesis:
As a di-halogenated benzoic acid derivative, 2,6-dichlorobenzoic acid can be utilized in various chemical synthesis processes, particularly in the production of other organic compounds and pharmaceuticals. Its unique structural features make it a valuable building block for the creation of complex molecules with diverse applications.

Air & Water Reactions

Slightly soluble in water.

Reactivity Profile

2,6-Dichlorobenzoic acid is a halogenated carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in 2,6-Dichlorobenzoic acid to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.

Fire Hazard

Flash point data for 2,6-Dichlorobenzoic acid are not available; however, 2,6-Dichlorobenzoic acid is probably combustible.

Purification Methods

Crystallise the acid from EtOH and sublime it in vacuo.[Beilstein 9 IV 1005.] Aromatic acid impurities (to <0.05%) can be removed via the (±)--methylbenzylamine salt as described for 2,4-dichlorobenzoic acid [Ley & Yates Organic Process Research & Development 12 120 2008.]

InChI:InChI=1/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)/p-1

Synthetic route

2,6-Dichlorobenzoyl chloride (4659-45-4) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
With water; triethylamine In acetone at 20℃; for 18h;	99%
With NaH; acetic acid In dichloromethane; water; N,N-dimethyl-formamide
With NaH; acetic acid In dichloromethane; water; N,N-dimethyl-formamide

2,6-dichlorobenzyl alcohol (15258-73-8) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
Stage #1: 2,6-dichlorobenzyl alcohol With sodium t-butanolate In tetrahydrofuran at 25℃; for 1h; Schlenk technique; Stage #2: With hydrogenchloride In water Reagent/catalyst;	99%
With tert.-butylhydroperoxide; sodium chloride; sodium hydroxide In water at 70℃; Sealed tube; Green chemistry;	85%
With tert.-butylhydroperoxide; water; iodine; sodium hydroxide at 70℃; pH=10; Green chemistry;	83%

carbon dioxide (124-38-9) + 1,3-Dichlorobenzene (541-73-1) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
Stage #1: carbon dioxide With AuOH(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene); potassium hydroxide In tetrahydrofuran at 20℃; under 1125.11 Torr; for 0.25h; Stage #2: 1,3-Dichlorobenzene In tetrahydrofuran at 20℃; under 1125.11 Torr; for 12h; Stage #3: With hydrogenchloride In tetrahydrofuran; water regioselective reaction;	96%
With n-butyllithium In tetrahydrofuran; hexane for 0.75h; cooling;	95%
Stage #1: 1,3-Dichlorobenzene With n-butyllithium In tetrahydrofuran at -75℃; for 2h; Stage #2: carbon dioxide In tetrahydrofuran	95%
Stage #1: 1,3-Dichlorobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.75h; Inert atmosphere; Stage #2: carbon dioxide In tetrahydrofuran; hexane at -78℃; for 0.166667h; Inert atmosphere;	437 mg

2,6-dichlorotoluene (118-69-4) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
	95%
With potassium permanganate; water
With nitric acid at 140℃; im Druckrohr;

2,6-dichloro-benzonitrile (1194-65-6) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
With 1-butyl-3-methylimidazolium hydrogen sulfate; water at 60 - 65℃; for 2.5h; Green chemistry;	95%
With pro-nitro010; water Reagent/catalyst; Enzymatic reaction;

N'-(2,6-dichlorobenzylidene)-4-methylbenzene-1-sulfonohydrazide (37532-04-0) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 144h; Heating;	94%

2,6-dichlorobenzaldehyde (83-38-5) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
With dihydrogen peroxide for 0.0333333h; Microwave irradiation;	92%
With tert.-butylhydroperoxide; water; iodine; sodium hydroxide at 70℃; pH=10; Green chemistry;	92%
With air; octadecafluorodecahydronaphthalene (cis+trans); isobutyraldehyde; [Co{TPP(C8F17)4}] In acetonitrile under 760 Torr; for 16h;	91%

2,6-dichlorobenzaldoxime (25185-95-9) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 240h; Heating;	92%

2,6-dichlorobenzaldehyde (83-38-5) → 2,6-Dichlorophenol (87-65-0) + 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
With selenium(IV) oxide; dihydrogen peroxide In tetrahydrofuran for 52h; Heating;	A 4 % Chromat. B 86%

(1E)-2,6-dichlorobenzaldehyde oxime (6575-28-6) + acetonitrile (75-05-8) → 2,6-dichloro-benzonitrile (1194-65-6) + 3-(2,6-dichlorophenyl)-5-methyl-1,2,4-oxadiazole (55151-92-3) + 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
With ammonium cerium(IV) nitrate at 70℃; for 1h; Yields of byproduct given;	A n/a B 30% C 11%

2-chloro-6-aminobenzoic acid (2148-56-3) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
Diazotization.Einw. von CuCl und HCl auf das Diazotierungsprodukt;

2,6-Dichlorobenzyl bromide (20443-98-5) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
With sodium hydroxide; potassium permanganate
With ethanol; potassium acetate Erwaermen des Reaktionsprodukts mit wss. Natronlauge und Behandeln des Reaktionsgemisches mit Kaliumpermanganat;
With sodium periodate; 2>(6-); sulfuric acid 1) aq. KOH, rt, 4 h; Yield given. Multistep reaction;

1,1-dichloro-t-2-<((E)-2'-(2,6-dichlorophenyl)-ethen-1'-yl)>-r-3-phenylcyclopropane (90281-00-8, 90364-83-3) → 1,1-dichloro-t-3-phenylcyclopropane-r-2-carboxylic acid (34266-21-2) + 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
With formic acid; dihydrogen peroxide; oxygen; ozone 1.) CHCl3, 30 min, -10 deg C; 2.) water, 30 min; 3.) reflux, 1 h; Yield given. Multistep reaction. Yields of byproduct given;

carbon dioxide (124-38-9) + 1,2,3-trichlorobenzene (87-61-6) → 2,3-dichlorbenzoic acid (50-45-3) + 3-chlorobenzoate (535-80-8) + ortho-chlorobenzoic acid (118-91-2) + 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
With tetrabutylammomium bromide In N,N-dimethyl-formamide at 5℃; electrolysis (I=0.4 A); Yield given. Further byproducts given. Yields of byproduct given;

2,6-Dichloro-benzoic acid 2-methyl-2-nitro-propyl ester → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
With sodium hydroxide In methanol for 12h; Heating; Yield given;

2,6-dichlorotoluene (118-69-4) + bromine (7726-95-6) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
at 170℃; Eintragen von KMnO4 in das mit wss. NaOH versetzte Reaktionsgemisch bei Siedetemperatur;

2,6-dichlorotoluene (118-69-4) + nitric acid (7697-37-2) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
im Rohr;

aluminium trichloride (7446-70-0) + ethyl 2,6-dichlorobenzoate (81055-73-4) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
at 120 - 130℃;

carbon dioxide (124-38-9) + 1,2,3-trichlorobenzene (87-61-6) → 2,3,4-trichlorobenzoic acid (50-75-9) + 2,3-dichlorbenzoic acid (50-45-3) + 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
Stage #1: 1,2,3-trichlorobenzene With sec.-butyllithium In tetrahydrofuran; cyclohexane at -75℃; for 0.75h; Stage #2: carbon dioxide In tetrahydrofuran; cyclohexane Title compound not separated from byproducts;	A 13 % Chromat. B 5.7 % Chromat. C 67 % Chromat.

2-(2,6-Dichloro-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
Multi-step reaction with 2 steps 1: Oxone, NaHCO3, 1,1,1-trifluoroacetone / acetonitrile; H2O / Ambient temperature; Na2*EDTA, pH 7-7.5 2: 5percent NaOH / methanol / 12 h / Heating View Scheme

N-(3-chloro-2-methylphenyl)acetamide (7463-35-6) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
Multi-step reaction with 3 steps 1: potassium permanganate; magnesium sulfate 2: concentrated hydrochloric acid / Zers. des entstandenen Hydrochlorids mit Natriumdicarbonat 3: Diazotization.Einw. von CuCl und HCl auf das Diazotierungsprodukt View Scheme

2-(acetylamino)-6-chlorobenzoic acid (19407-42-2) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
Multi-step reaction with 2 steps 1: concentrated hydrochloric acid / Zers. des entstandenen Hydrochlorids mit Natriumdicarbonat 2: Diazotization.Einw. von CuCl und HCl auf das Diazotierungsprodukt View Scheme

2-methylchlorobenzene (95-49-8) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
Multi-step reaction with 2 steps 1: iron / durch Chlorierung 2: bei der Oxydation View Scheme

3-nitro-o-tolylamine (603-83-8) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
Multi-step reaction with 2 steps 1: Austausch der Aminogruppe gegen Chlor, Reduktion und Ersatz der neuentstandenen Aminogruppe durch Chlor 2: bei der Oxydation View Scheme

toluene (108-88-3) → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
Multi-step reaction with 2 steps 1: MoCl5 / durch Chlorierung 2: bei der Oxydation View Scheme

C7H3Cl2O2(1-)*C25H30N3(1+) → crystal violet carbinol base (467-63-0) + 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
With water In chlorobenzene at 28℃; Equilibrium constant;

C22H18Cl2O4 → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
In ethanol; dichloromethane at 25℃; Kinetics;

2,6-dichlorobenzyl alcohol (15258-73-8) → 2,6-dichlorobenzaldehyde (83-38-5) + 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
With dihydrogen peroxide at 70℃; Catalytic behavior; Reagent/catalyst; Temperature;

C13H20Cl2OSi → 2,6-dichlorobenzoic acid (50-30-6)

Conditions	Yield
Multi-step reaction with 2 steps 1: tetra-N-butylammonium tribromide / acetonitrile / 15 h / 20 °C / Irradiation 2: tetra-N-butylammonium tribromide / acetonitrile / 24 h / 20 °C / Irradiation View Scheme

carbonic acid dimethyl ester (616-38-6) + 2,6-dichlorobenzoic acid (50-30-6) → 2,6-dichlorobenzoic acid methyl ester (14920-87-7)

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene for 24h; Heating;	99%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 160℃; under 15001.2 Torr; for 0.4h; microwave irradiation;	98%
With 1,8-diazabicyclo[5.4.0]undec-7-ene for 48h; Heating / reflux;	86%

bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride (68641-49-6) + 2,6-dichlorobenzoic acid (50-30-6) → C13H11Cl2N2O7P (77331-22-7)

Conditions	Yield
With 1-ethyl-piperidine In dichloromethane at 15℃; for 1.5h;	98%

2,6-dichlorobenzoic acid (50-30-6) → <2,6-2H2>benzoic acid (57193-24-5)

Conditions	Yield
With deuterated hypophosphorous acid; palladium 10% on activated carbon; sodium carbonate In water-d2 at 50℃; regioselective reaction;	98%

2-chloropyridine-3,4-diamine (39217-08-8) + 2,6-dichlorobenzoic acid (50-30-6) → 2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-ol (1334411-80-1)

Conditions	Yield
Stage #1: 2-chloropyridine-3,4-diamine; 2,6-dichlorobenzoic acid at 190℃; for 3h; Stage #2: With sodium carbonate In water at 20℃; Cooling with ice;	97%
With polyphosphoric acid at 190℃; for 3h;	97%

C17H28N2O (611239-90-8) + 2,6-dichlorobenzoic acid (50-30-6) → 1,3-diisopropylurea (4128-37-4) + 4-phenylbutan-2-yl 2,6-dichlorobenzoate (1160842-96-5)

Conditions	Yield
In acetonitrile at 130℃; for 0.0833333h; Microwave irradiation;	A n/a B 96%

2,6-dichlorobenzoic acid (50-30-6) → 2,6-dichloro-3-nitrobenzoic acid (55775-97-8)

Conditions	Yield
With sulfuric acid; nitric acid for 1h; Heating;	95%
With sulfuric acid; nitric acid at 30℃; Temperature; Inert atmosphere;	95.2%
With sulfuric acid; nitric acid at 70℃; for 5h;	95%

C17H28N2O (1160843-02-6) + 2,6-dichlorobenzoic acid (50-30-6) → 1,3-diisopropylurea (4128-37-4) + (R)-4-phenylbutan-2-yl 2,6-dichlorobenzoate (1160843-05-9)

Conditions	Yield
In acetonitrile at 130℃; for 0.0833333h; Microwave irradiation; optical yield given as %ee;	A n/a B 95%

Triethyl orthoacetate (78-39-7) + 2,6-dichlorobenzoic acid (50-30-6) → ethyl 2,6-dichlorobenzoate (81055-73-4)

Conditions	Yield
In various solvent(s) at 80℃; for 2h;	94%

thiophenol (108-98-5) + 2,6-dichlorobenzoic acid (50-30-6) → phenyl 2,6-dichlorothiolbenzoate (68504-48-3)

Conditions	Yield
With pyridine; O-phenyl phosphorodichloridate In dichloromethane for 24h; Ambient temperature;	92%
With PPE for 15h; Ambient temperature;	83%

methyl iodide (74-88-4) + 2,6-dichlorobenzoic acid (50-30-6) → 2,6-dichloro-3-methylbenzoic acid

Conditions	Yield
With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium In tetrahydrofuran 1.) -90 deg C, 30 min, 2.) -78 deg C;	92%

2,6-dichlorobenzoic acid (50-30-6) → 2,6-dichlorobenzoic anhydride (16442-10-7)

Conditions	Yield
With 1-ethyl-piperidine; N,N-bis[2-oxo-3-oxazolidinyl]phosphorodiamidic chloride In acetonitrile at 20℃; for 4h;	91%

bromoacetic acid tert-butyl ester (5292-43-3) + 2,6-dichlorobenzoic acid (50-30-6) → C13H14Cl2O4 (81055-78-9)

Conditions	Yield
With potassium carbonate In acetone at 20℃; for 16h;	91%

(S)-benzyl (4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate (26049-94-5) + 2,6-dichlorobenzoic acid (50-30-6) → 2,6-Dichloro-benzoic acid (S)-3-benzyloxycarbonylamino-2-oxo-4-phenyl-butyl ester

Conditions	Yield
Multistep reaction;	90%

C15H32N2O (113984-36-4) + 2,6-dichlorobenzoic acid (50-30-6) → 1,3-diisopropylurea (4128-37-4) + octan-2-yl-2,6-dichlorobenzoate (1160843-00-4)

Conditions	Yield
In acetonitrile at 130℃; for 0.0833333h; Microwave irradiation;	A n/a B 90%

(S)-cis-Verbenol (18881-04-4) + 2,6-dichlorobenzoic acid (50-30-6) → (+)-(1S)-<(1α,2β,5α)-4,6,6-trimethylbicyclo<3.1.1>hept-3-en-2-yl> 2,6-dichlorobenzoate (144681-51-6)

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In diethyl ether; acetonitrile for 0.5h; Ambient temperature;	89%

5-methyl-2-thiazol-2-amine (7305-71-7) + 2,6-dichlorobenzoic acid (50-30-6) → 6-chloro-2-methyl-5H-[1,3]-thiazolo[2,3-b]quinazolin-5-one

Conditions	Yield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.25h; sonication;	88%
With copper Ullmann condensation; Sonication;

2-methylpropan-2-thiol (75-66-1) + 2,6-dichlorobenzoic acid (50-30-6) → t-butyl 2,6-dichlorothiolbenzoate (68504-44-9)

Conditions	Yield
With PPE at 45℃; for 15h;	85%

2,6-dichlorobenzoic acid (50-30-6) + 5-(piperazin-1-yl)benzofuran-2-carboxylic acid ethyl ester → ethyl 5-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]benzofuran-2-carboxylate

Conditions	Yield
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In dichloromethane	85%

N-Methylnicotinamide (114-33-0) + copper(II) acetate monohydrate (6046-93-1) + 2,6-dichlorobenzoic acid (50-30-6) → C28H24Cl4CuN4O7*2H2O

Conditions	Yield
In acetonitrile for 24h;	85%

acetone (67-64-1) + 2,6-dichlorobenzoic acid (50-30-6) → 2-oxopropyl 2,6-dichlorobenzoate

Conditions	Yield
With sodium chlorite; potassium iodide at 100℃; for 24h; Schlenk technique;	85%

Upstream product

• 20443-98-5 2,6-Dichlorobenzyl bromide 
• 37532-04-0 N'-(2,6-dichlorobenzylidene)-4-methylbenzene-1-sulfonohydrazide 
• 124-38-9 carbon dioxide 
• 541-73-1 1,3-Dichlorobenzene 
• 108-88-3 toluene 
• 83-38-5 2,6-dichlorobenzaldehyde 
• 118-69-4 2,6-dichlorotoluene 
• 15258-73-8 2,6-dichlorobenzyl alcohol 
• 1194-65-6 2,6-dichloro-benzonitrile 
• 603-83-8 3-nitro-o-tolylamine 
• 95-49-8 2-methylchlorobenzene 
• 19407-42-2 2-(acetylamino)-6-chlorobenzoic acid 
• 7463-35-6 N-(3-chloro-2-methylphenyl)acetamide 
• 87-61-6 1,2,3-trichlorobenzene 

Downstream Products

• 81591-94-8 2,6-Dichloro-benzoic acid; compound with 4-methyl-pyridine 
• 81591-91-5 2,6-Dichloro-benzoic acid; compound with isoquinoline 
• 81591-86-8 2,6-Dichloro-benzoic acid; compound with nicotinonitrile 
• 81591-87-9 2,6-Dichloro-benzoic acid; compound with isonicotinonitrile 
• 81591-92-6 2,6-Dichloro-benzoic acid; compound with 4-methyl-quinoline 
• 13075-04-2 1,2,3,5-tetrabromo-4,6-dichloro-benzene 
• 14920-87-7 2,6-dichlorobenzoic acid methyl ester 
• 934480-32-7 2,6-dichloro-N-{2-oxo-2-[2-(2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0^2,6]dec-4-yl)-pyrrolidin-1-yl]-ethyl}-benzamide 
• 844443-90-9 tert-butyl 4-(4-(2,6-dichlorobenzamido)-1H-pyrazole-3-carboxamido)piperidine-1-carboxylate 

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Nitrile compounds are intermediates in the synthesis of pharmaceuticals such as atorvastatin. We have developed a chromogenic reagent to screen for nitrilase activity as an alternative to Nessler's reagent. It produces a semi-quantifiable blue colour and hydrolysis of 38 nitrile substrates by 23 nitrilases as cell-free extracts has been shown. This journal is

An insight into the mechanism of the aerobic oxidation of aldehydes catalyzed by N-heterocyclic carbenes

N-Heterocyclic carbene catalysis for the aerobic oxidation and esterification of aromatic aldehydes was monitored by ESI-MS (MS/MS) and the key intermediates were intercepted and characterized using the charge-tag strategy.

Electrophilicity and nucleophilicity of commonly used aldehydes

The present approach for determining the electrophilicity (E) and nucleophilicity (N) of aldehydes includes a kinetic study of KMNO4 oxidation and NaBH4 reduction of aldehydes. A transition state analysis of the KMNO4 promoted aldehyde oxidation reaction has been performed, which shows a very good correlation with experimental results. The validity of the experimental method has been tested using the experimental activation parameters of the two reactions. The utility of the present approach is further demonstrated by the theoretical versus experimental relationship, which provides easy access to E and N values for various aldehydes and offers an at-a-glance assessment of the chemical reactivity of aldehydes in various reactions. the Partner Organisations 2014.

An efficient one pot method for synthesis of carboxylic acids from nitriles using recyclable ionic liquid [bmim]HSO4 Dedicated to my mentor Professor (Mrs.) Krishna Misra on her 76th birthday

Environmentally benign ionic liquid [bmim]HSO4 was found suitable for conversion of nitriles into carboxylic acids under mild conditions with excellent purity.

Au/mesoporous-TiO2 as catalyst for the oxidation of alcohols to carboxylic acids with molecular oxygen in water

Mesoporous TiO2 (meso-TiO2) with sharp pore size distribution was synthesized by hydrothermal method. The obtained meso-TiO 2 is in pure anatase phase and presents spheric aggregates with diameter of 1.0-1.5 μm, which consists of nanoparticles with size of 6-10 nm. Au supported on meso-TiO2 (Au/meso-TiO2) was prepared by urea deposition-precipitation method using HAuCl4 as gold source. The catalyst was characterized by X-ray diffraction, N2 adsorption, transmission electron microscopy and UV-vis diffuse reflectance spectroscopy. The catalytic performance of Au/meso-TiO2 was studied in the oxidation of 1-pentanol to n-valeric acid with molecular oxygen as oxidant in water under basic conditions. It was found that meso-TiO2 is a better support for gold catalyst in the oxidation of 1-pentanol than NaY zeolite, hydrotalcite, and nano-TiO2. Deposition-precipitation time, calcination temperature and Au loading affected the catalytic performance of Au/meso-TiO2. The catalyst can also effectively catalyze the oxidation of aliphatic (C3-C10) and aromatic alcohols to the corresponding carboxylic acids.