Conditions | Yield |
---|---|
With zinc(II) oxide In N,N-dimethyl-formamide for 0.0833333h; microwave irradiation; | 89% |
With manganese(II) bromide; dihydrogen peroxide; oxygen In supercritical water at 380℃; under 172517 - 180018 Torr; | 78% |
With dihydrogen peroxide; sodium carbonate; acetic acid at 100℃; under 7500.75 Torr; for 12h; Reagent/catalyst; Green chemistry; | 78% |
o-xylene
A
2-benzofuran-1(3H)-one
B
benzene-1,2-dicarboxylic acid
C
benzoic acid
D
o-carboxybenzaldehyde
Conditions | Yield |
---|---|
With dihydrogen peroxide In water at 380℃; under 172517 Torr; Product distribution / selectivity; Supercritical conditions; | A n/a B 72% C n/a D n/a |
With oxygen; manganese(II) bromide; hydrogen bromide In water at 380℃; Product distribution / selectivity; Supercritical conditions; | A n/a B 65% C n/a D n/a |
With dihydrogen peroxide; manganese(II) bromide In water at 380℃; under 172517 - 180018 Torr; Product distribution / selectivity; Supercritical conditions; | A n/a B 63% C n/a D n/a |
Conditions | Yield |
---|---|
With selenium(IV) oxide; dihydrogen peroxide In tetrahydrofuran for 50h; Heating; | 93% |
With potassium hydroxide; sodium tetrahydroborate; air; palladium on activated charcoal In methanol at 20℃; for 7h; | 90% |
With tert.-butylhydroperoxide; copper(l) chloride In acetonitrile at 20℃; for 2.5h; | 84% |
o-xylene
A
2-benzofuran-1(3H)-one
B
benzene-1,2-dicarboxylic acid
C
benzoic acid
Conditions | Yield |
---|---|
With dihydrogen peroxide In water at 380℃; under 172517 - 180018 Torr; Product distribution / selectivity; Supercritical conditions; | A n/a B 66% C n/a |
With dihydrogen peroxide In water at 380℃; under 172517 - 180018 Torr; Product distribution / selectivity; Supercritical conditions; | A n/a B 66% C n/a |
With oxygen; manganese(II) bromide; hydrogen bromide In water at 380℃; Product distribution / selectivity; Supercritical conditions; | A n/a B 66% C n/a |
With oxygen; hydrogen bromide; manganese(II) acetate In water at 380℃; Product distribution / selectivity; Supercritical conditions; | A n/a B 63% C n/a |
o-xylene
A
2-benzofuran-1(3H)-one
B
2-methylphenyl aldehyde
C
benzene-1,2-dicarboxylic acid
D
benzoic acid
E
o-carboxybenzaldehyde
Conditions | Yield |
---|---|
With dihydrogen peroxide In water at 380℃; under 172517 Torr; Product distribution / selectivity; Supercritical conditions; | A n/a B n/a C 71% D n/a E n/a |
With oxygen; hydrogen bromide; manganese(II) acetate In water at 380℃; Product distribution / selectivity; Supercritical conditions; | A n/a B n/a C 60% D n/a E n/a |
With oxygen; hydrogenchloride; manganese(II) acetate In water at 380℃; Product distribution / selectivity; Supercritical conditions; | A n/a B n/a C 17% D n/a E n/a |
With oxygen; manganese(II) acetate In water at 380℃; Product distribution / selectivity; Supercritical conditions; | A n/a B n/a C 8% D n/a E n/a |
Conditions | Yield |
---|---|
With zinc(II) oxide In N,N-dimethyl-formamide for 0.125h; microwave irradiation; | 78% |
With sodium hypochlorite; ruthenium(III) chloride trihydrate; sulfuric acid; tetrabutylammomium bromide In water; 1,2-dichloro-ethane at 23℃; for 0.5h; pH=9; Green chemistry; | 58% |
With silica gel at -196.1℃; Irradiation; | 49% |
Conditions | Yield |
---|---|
Stage #1: o-xylene With manganese(IV) oxide; C32H16N8O4Ru; C46H39CrN12O2; oxygen at 195℃; under 14251.4 Torr; for 0.2h; Stage #2: With manganese(IV) oxide; C32H16N8O4Ru; C46H39CrN12O2; oxygen; acetic acid at 150℃; under 4500.45 Torr; for 4h; Temperature; Pressure; Reagent/catalyst; | A 89.3% B 10.6% |
Stage #1: o-xylene With N-acetylphthalimide; Cr(4+)*4NO3(1-); C36H24N8NiO4; C52H44FeN4O8; oxygen at 120℃; under 2250.23 Torr; for 1.5h; Stage #2: With N-acetylphthalimide; Cr(4+)*4NO3(1-); C36H24N8NiO4; C52H44FeN4O8; oxygen; acetic acid at 170℃; under 12001.2 Torr; for 0.6h; Temperature; Pressure; Reagent/catalyst; | A 14.4% B 85.3% |
With zinc(II) oxide In N,N-dimethyl-formamide for 0.133333h; microwave irradiation; | A 80% B 5 % Spectr. |
Conditions | Yield |
---|---|
With methanol; tert-Amyl alcohol; sodium hydride; cobalt(II) acetate In tetrahydrofuran at 40℃; under 760 Torr; for 12h; Irradiation; | 78% |
2,4,5-trimethylbenzaldehyde
A
1,2,4,5-benzenetetracarboxylic acid
B
5-methyl-1,2,4-benzenetricarboxylic acid
C
1,2,4-benzene tricarboxylic acid
D
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
Stage #1: 2,4,5-trimethylbenzaldehyde With oxygen at 210℃; under 24002.4 Torr; Stage #2: With oxygen; hydrogen bromide In water at 210℃; under 21752.2 Torr; Stage #3: With hydrogen; 0.5% Pd/C at 150℃; under 7500.75 Torr; |
o-xylene
A
ortho-methylbenzoic acid
B
2-benzofuran-1(3H)-one
C
benzene-1,2-dicarboxylic acid
D
benzoic acid
E
o-carboxybenzaldehyde
Conditions | Yield |
---|---|
With dihydrogen peroxide In water at 380℃; under 172517 Torr; Product distribution / selectivity; Supercritical conditions; | A n/a B n/a C 74% D n/a E n/a |
With dihydrogen peroxide In water at 380℃; under 172517 Torr; Product distribution / selectivity; Supercritical conditions; | A n/a B n/a C 71% D n/a E n/a |
With dihydrogen peroxide In water at 380℃; under 172517 - 180018 Torr; Product distribution / selectivity; Supercritical conditions; | A n/a B n/a C 52% D n/a E n/a |
With dihydrogen peroxide; cobalt(II) bromide In water at 380℃; under 172517 - 180018 Torr; Product distribution / selectivity; Supercritical conditions; | A n/a B n/a C 51% D n/a E n/a |
Conditions | Yield |
---|---|
With oxygen; manganese (II) acetate tetrahydrate; cobalt(II) diacetate tetrahydrate In acetic acid at 120℃; under 760.051 Torr; for 15h; | 82% |
With KO2; 18-crown-6 ether In N,N-dimethyl-formamide for 20h; Ambient temperature; | 61 % Chromat. |
Conditions | Yield |
---|---|
With potassium hydroxide; sodium tetrahydroborate; air; palladium on activated charcoal In methanol at 20℃; for 3h; | 86% |
With tetrakis(pyridine)silver(II) peroxodisulfate In water; acetonitrile for 5h; Ambient temperature; | 80% |
With potassium permanganate In water; acetonitrile |
carbon monoxide
1,2-dibromobenzene
A
2-bromobenzoic acid methyl ester
B
phthalic acid dimethyl ester
C
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
With methanol; tert-Amyl alcohol; sodium hydride; cobalt(II) acetate In tetrahydrofuran at 40℃; under 760 Torr; for 18h; Irradiation; | A 4% B 85% C 3% |
Conditions | Yield |
---|---|
With potassium carbonate; potassium tetrachloropalladate(II) In water at 50℃; under 760 Torr; for 20h; | 95% |
methanol
carbon monoxide
1,2-dibromobenzene
A
2-bromobenzoic acid methyl ester
B
phthalic acid dimethyl ester
C
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
With tert-Amyl alcohol; sodium hydride; cobalt(II) acetate In tetrahydrofuran at 40℃; under 760 Torr; for 18h; Irradiation; | A 4% B 85% C 3% |
o-xylene
A
ortho-methylbenzoic acid
B
2-(hydroxymethyl)benzoic acid
C
benzene-1,2-dicarboxylic acid
D
o-carboxybenzaldehyde
Conditions | Yield |
---|---|
Stage #1: o-xylene With N-hydroxyphthalimide; air; cobalt(II) acetate; manganese(II) acetate In acetic acid at 150℃; under 22801.5 Torr; for 3h; Stage #2: With sodium hydroxide at 90℃; Further stages.; | A 6% B 8% C 73% D 3% |
2-(2-chlorobenzyl)isoindoline-1,3-dione
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
With hydrogenchloride In iced-water; water | 98% |
Conditions | Yield |
---|---|
With Oxone In water; acetonitrile for 22h; Reflux; | 85% |
phthaloyl peroxide
A
N,N'-diphenyl-1,4-phenylenediamine
B
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
With N,N'-diphenyl-1,4-phenylenediamine In tetrahydrofuran at 25℃; | A 88% B 98% |
N,N'-diphenyl-1,4-phenylenediamine
A
N,N'-diphenyl-1,4-phenylenediamine
B
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
With monoperoxyphthalic acid In tetrahydrofuran at 25℃; | A 88% B 98% |
o-xylene
para-xylene
A
benzene-1,2-dicarboxylic acid
B
benzoic acid
Conditions | Yield |
---|---|
With dihydrogen peroxide; oxygen; manganese(II) bromide In water at 400℃; under 187519 Torr; Product distribution / selectivity; | A 46% B n/a |
2-(3-bromopropyl)isoindole-1,3-dione
benzyl-methyl-amine
B
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran; hydrogenchloride | A 90% B n/a |
Conditions | Yield |
---|---|
With sodium acetate; palladium diacetate; silver carbonate In 1,4-dioxane at 150℃; under 760.051 Torr; for 48h; | 41% |
1,3-dimethylnaphthalene
A
1,3-naphthalenedicarboxylic acid
B
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
With oxygen; cobalt acetate; hydrogen bromide; manganese(II) acetate In water; acetic acid at 180 - 200℃; under 12001.2 Torr; for 1.08333h; Product distribution / selectivity; | A 30% B 0.1% |
o-xylene
A
ortho-methylbenzoic acid
B
2-benzofuran-1(3H)-one
C
2-methylphenyl aldehyde
D
benzene-1,2-dicarboxylic acid
E
benzoic acid
F
o-carboxybenzaldehyde
Conditions | Yield |
---|---|
With dihydrogen peroxide In water at 380℃; under 172517 Torr; Product distribution / selectivity; Supercritical conditions; | A n/a B n/a C n/a D 70% E n/a F n/a |
2-Methylacetophenone
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
With oxygen; zirconyl acetate; manganese (II) acetate tetrahydrate; cobalt(II) diacetate tetrahydrate; acetic anhydride; 1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione In acetic acid at 120℃; under 760.051 Torr; for 15h; | 73% |
Conditions | Yield |
---|---|
With C15H27Br2CoN3; potassium hydroxide In toluene at 140℃; for 16h; Cannizzaro Reaction; Inert atmosphere; Sealed tube; | 80% |
With potassium permanganate |
Conditions | Yield |
---|---|
With sodium hydroxide; water; dihydrogen peroxide; manganese(II) bromide at 380℃; under 172517 Torr; | A 46% B n/a |
With manganese(II) bromide; dihydrogen peroxide; oxygen; sodium bromide In supercritical water at 380℃; under 172517 - 180018 Torr; |
o-xylene
para-xylene
m-xylene
A
isophthalic acid
B
terephthalic acid
C
benzene-1,2-dicarboxylic acid
D
benzoic acid
Conditions | Yield |
---|---|
With dihydrogen peroxide; oxygen; manganese(II) bromide In water at 400℃; under 187519 Torr; Product distribution / selectivity; | A 86.3% B 66.7% C 61.5% D n/a |
N-hydroxyphthalimide
A
ortho-methylbenzoic acid
B
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
With acetic acid In o-xylene | A 71% B n/a |
Conditions | Yield |
---|---|
(2-(pyridin-2-yl)phenyl)boronic acid In nonane for 5.5h; Product distribution / selectivity; 3 Å Molecular sieve; Reflux; | 100% |
With 2,6-dimethylpyridine; tris(2,2'-bipyridyl)ruthenium dichloride; carbon tetrabromide; N,N-dimethyl-formamide at 25 - 30℃; for 12h; Inert atmosphere; Photolysis; | 99% |
With N,N-bis[2-oxo-3-oxazolidinyl]phosphorodiamidic chloride; triethylamine In dichloromethane at 20℃; for 1h; | 98% |
benzene-1,2-dicarboxylic acid
1,1,1,3,3,3-hexamethyl-disilazane
ortho-phthalic acid bis(trimethylsilyl) ester
Conditions | Yield |
---|---|
With saccharin at 125℃; for 1h; Inert atmosphere; | 100% |
98% | |
With iodine In neat (no solvent) at 20℃; for 52h; Green chemistry; | 46% |
2-(vinyloxy)ethyl isothiocyanate
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
Stage #1: 2-(vinyloxy)ethyl isothiocyanate; benzene-1,2-dicarboxylic acid at 120℃; Stage #2: With trifluoroacetic acid at 70 - 80℃; for 1h; | 100% |
benzene-1,2-dicarboxylic acid
Hexamethylphosphorous triamide
N,N,N',N'-tetramethyl-phthalamide
Conditions | Yield |
---|---|
In benzene for 0.5h; Heating; | 100% |
benzene-1,2-dicarboxylic acid
3,4,5,6-tetradeuterophtaloyl dicarboxylic acid
Conditions | Yield |
---|---|
With hydrogen; water-d2; platinum on activated charcoal at 180℃; for 24h; | 100% |
Stage #1: benzene-1,2-dicarboxylic acid With platinum on carbon; hydrogen; water-d2 at 180℃; under 3420.23 Torr; for 24h; Stage #2: With water In diethyl ether | 51% |
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
In water mixing; filtn., solvent evpn.; | 100% |
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
In water mixing; filtn., solvent evpn.; | 100% |
5-(3-chloropyridin-2-yl)-7-(2-pyridin-2-ylethoxy)-1H-indazole-3-amine
benzene-1,2-dicarboxylic acid
2-[5-(3-chloropyridin-2-yl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-1H-isoindole-1,3(2H)-dione
Conditions | Yield |
---|---|
Stage #1: 5-(3-chloropyridin-2-yl)-7-(2-pyridin-2-ylethoxy)-1H-indazole-3-amine; benzene-1,2-dicarboxylic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20 - 50℃; for 2h; Stage #2: With sodium hydrogencarbonate In water; N,N-dimethyl-formamide | 100% |
5-Aminouracil
benzene-1,2-dicarboxylic acid
5-phthalimidopyrimidine-2,4(1H,3H)-dione
Conditions | Yield |
---|---|
With pyridine at 150℃; for 0.5h; Reagent/catalyst; Temperature; Inert atmosphere; Sealed tube; Microwave irradiation; | 100% |
2,6-diisopropylbenzenamine
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
In methanol at 20℃; for 2h; Inert atmosphere; Reflux; | 100% |
Conditions | Yield |
---|---|
With boron trifluoride at 95℃; for 1h; Product distribution; other reaction time: 15, 20, 30 min; | 99.9% |
With boron trifluoride at 95℃; for 1h; | 99.9% |
With sulfuric acid for 24h; Reflux; | 96% |
Conditions | Yield |
---|---|
In various solvent(s) at 80℃; for 2h; | 99% |
2-amino-4-methylbenzophenone
water
benzene-1,2-dicarboxylic acid
2-(N-isopropylamino)-4-methylbenzophenone
Conditions | Yield |
---|---|
With sodium hydroxide; sodium borohydrid In acetone | 99% |
Conditions | Yield |
---|---|
In not given addn. of AlMe3 (2 equiv.) to phthalic acid; according to J. Lewinski et al. Inorg. Chem. 1998, 37, 2575; | 99% |
In toluene byproducts: CH4; N2-atmosphere; addn. of 2 equiv. AlMe3 to ligand at -78°C, warming to room temp., standing for 1 h; evapn. (vac.); elem. anal.; | 95% |
3-Bromo-4-methoxyphenethylamine
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
With benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; diisopropyl-carbodiimide In dichloromethane at 20℃; for 12h; | 99% |
benzene-1,2-dicarboxylic acid
bis(pyridin-2-yl)methylamine
Conditions | Yield |
---|---|
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide In acetic acid butyl ester; ethyl acetate at 20℃; for 17h; Reflux; | 99% |
benzene-1,2-dicarboxylic acid
carbonic acid dimethyl ester
Monomethyl phthalate
Conditions | Yield |
---|---|
With 5 wt percent zeolite NaY-Bf at 180℃; for 5h; Autoclave; Green chemistry; | 99% |
2-propylheptan-1-ol
benzene-1,2-dicarboxylic acid
di(2-propylheptyl) phthalate
Conditions | Yield |
---|---|
With titanium(IV) isopropylate at 170 - 220℃; under 760.051 Torr; for 4.5h; Inert atmosphere; Large scale; | 99% |
In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; for 6h; Reagent/catalyst; Solvent; Temperature; |
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
In methanol at 20 - 30℃; for 4h; | 99% |
Conditions | Yield |
---|---|
In benzene Heating; | 98% |
Conditions | Yield |
---|---|
In xylene for 7.5h; Heating; | 98% |
1,2-diamino-benzene
benzene-1,2-dicarboxylic acid
2-(2-carboxyphenyl)benzimidazole
Conditions | Yield |
---|---|
at 200℃; under 187519 Torr; for 3h; Temperature; Autoclave; Inert atmosphere; | 98% |
With hydrogenchloride at 80℃; for 4h; | 79% |
at 150℃; for 2h; | 75% |
With polyphosphoric acid at 250℃; for 4h; | 71% |
penta(p-tolyl)antimony(V)
benzene-1,2-dicarboxylic acid
tetraphenylantimony monophthalate
Conditions | Yield |
---|---|
In 1,4-dioxane; toluene sealed evacuated ampoule, soln. of Sb-compd. in toluene addn. to soln. of acid in dioxane, heating (90°C, 1 h); cooling, filtration, residue drying; | 98% |
pentaphenylantimony
benzene-1,2-dicarboxylic acid
tetraphenylantimony phthalate
Conditions | Yield |
---|---|
In toluene byproducts: benzene; room temp., 0.5-1 h; elem. anal.; | 98% |
The IUPAC name of this chemical is phthalic acid. With the CAS registry number 88-99-3, it is also named as Benzene-1,2-dicarboxylic acid. The product's categorie is Phthalic Acids, Esters and Derivatives. It is white crystals or fine white powder which is soluble in methanol and ethanol, slightly soluble in water and ether, insoluble in chloroform. In addition, this chemical is stable, combustible and incompatible with strong oxidizing agents. Furthermore, it should be sealed in the container.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.618; (11)Molar Refractivity: 40.113 cm3; (12)Molar Volume: 114.493 cm3; (13)Polarizability: 15.902×10-24 cm3; (14)Surface Tension: 70.304 dyne/cm; (15)Enthalpy of Vaporization: 66.051 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C; (17)Rotatable Bond Count: 2; (18)Exact Mass: 166.026609; (19)MonoIsotopic Mass: 166.026609; (20)Topological Polar Surface Area: 74.6; (21)Heavy Atom Count: 12; (22)Complexity: 177.
Preparation of Phthalic acid: It can be obtained by the hydrolysis of phthalic anhydride. Adding phthalic anhydride to the 60 °C water, and stirring while adding ammonia to the ph value of 8. After bleaching filtered and acidified with hydrochloric acid, we can get the product by washing. Reactive process:
Uses of Phthalic acid: It is used in the preparation of standard solution, dyes, polyester resin, polyester, plasticizers and drugs. And it is also used as analytical reagent. Furthermore, this chemical can react with 2-chloro-6-methyl-aniline to get N-(2-chloro-6-methyl-phenyl)-phthalimide. The temperature is 190 - 220 °C and the yield is 64%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:c1ccc(c(c1)C(=O)O)C(=O)O
2. InChI:InChI=1/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 550mg/kg (550mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Proceedings of the Society for Experimental Biology and Medicine. Vol. 49, Pg. 471, 1942. |
mouse | LD50 | oral | 2530mg/kg (2530mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 711, 1992. |
rat | LD50 | unreported | 1100mg/kg (1100mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 32(8), Pg. 12, 1967. |
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