2.6-dimethylnaphthalene
A
2,6-Naphthalenedicarboxylic acid
B
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
With oxygen; complex catalyst comprising 6.21 wtpercent Co, 1.58 wtpercent Mn, 3.87 wtpercent Br In water; acetic acid at 200℃; under 14711.4 Torr; Product distribution / selectivity; | A 99.41% B n/a |
With oxygen; complex catalyst comprising 5.0 wtpercent Co, 1.0 wtpercent Mn, 3.87 wtpercent Br In water; acetic acid at 200℃; under 14711.4 Torr; Product distribution / selectivity; | A 99.02% B n/a |
Conditions | Yield |
---|---|
With air; acetic acid; 1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione; cobalt(II) acetate; zirconyl acetate at 150℃; under 15200 Torr; for 6h; | 97% |
With 7H2O*3H3N*3H(1+)*[FeMo6O18(OH)6](3-); sodium carbonate; acetic acid at 100℃; under 750.075 Torr; for 12h; Reagent/catalyst; Temperature; Inert atmosphere; | 97% |
With cobalt(II) acetate; manganese(II) acetate; acetic acid at 110 - 220℃; under 14251.4 - 16501.7 Torr; Pressure; Temperature; | 96.32% |
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
With water; sodium hydroxide at 115℃; for 5h; | 96% |
With potassium hydroxide |
Conditions | Yield |
---|---|
Stage #1: 3,4-dimethylbenzoic acid With ferric(III) bromide; manganese(II) bromide tetrahydrate; water; hydrogen bromide; oxygen at 220℃; under 7500.75 - 24002.4 Torr; Inert atmosphere; Stage #2: With bromine In water under 21752.2 Torr; | 93% |
With N-hydroxyphthalimide; oxygen; cobalt(II) acetate; manganese (II) acetate tetrahydrate In acetic acid at 120℃; under 760.051 Torr; for 14h; | 90% |
Conditions | Yield |
---|---|
Stage #1: 2,4-dimethyl-benzoic acid With air at 220℃; under 24002.4 Torr; Stage #2: With air at 220℃; under 21752.2 Torr; | 92.3% |
With nitric acid |
2,4-dimethylbenzaldehyde
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
Stage #1: 2,4-dimethylbenzaldehyde With air at 220℃; under 24002.4 Torr; Stage #2: With air at 220℃; under 21752.2 Torr; | 92% |
Stage #1: 2,4-dimethylbenzaldehyde With air at 220℃; under 24002.4 Torr; Stage #2: With air at 220℃; under 21752.2 Torr; | 92.1% |
Stage #1: 2,4-dimethylbenzaldehyde With air at 220℃; under 24002.4 Torr; Stage #2: With air at 220℃; under 21752.2 Torr; | 92.2% |
Conditions | Yield |
---|---|
Stage #1: 3,4-dimethylbenzaldehyde With ferric(III) bromide; manganese(II) bromide tetrahydrate; water; hydrogen bromide; oxygen at 220℃; under 7500.75 - 24002.4 Torr; Inert atmosphere; Stage #2: With bromine In water under 21752.2 Torr; Product distribution / selectivity; | 92% |
benzene-1,2,4-tricarboxylic acid trimethyl ester
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
With water; sodium hydroxide In methanol at 70℃; for 48h; Temperature; | 90.16% |
1,2,4-Trimethylbenzene
A
isophthalic acid
B
terephthalic acid
C
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
With oxygen; titanium(IV) isopropylate; tetrabutoxytitanium; manganese(II) acetate; cobalt(II) acetate; ammonium bromide; cerous nitrate In water; acetic acid at 150 - 225℃; under 5250.53 - 18751.9 Torr; for 1.2 - 1.25h; Product distribution / selectivity; | A n/a B n/a C 88.3% |
2,6-diisopropylnaphthalene
A
2,6-Naphthalenedicarboxylic acid
B
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
With manganese; hydrogen bromide; potassium acetate; cobalt; acetic acid at 169.84℃; under 15001.5 Torr; Concentration; Temperature; Reagent/catalyst; Inert atmosphere; | A 75.7% B 15.5% |
1,2,4-Trimethylbenzene
2,4-dimethyl-benzoic acid
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
Stage #1: 1,2,4-Trimethylbenzene; 2,4-dimethyl-benzoic acid With oxygen; cobalt(II) acetate In water at 120℃; under 3000.3 Torr; for 0.833333h; Stage #2: copper naphthenate; cobalt naphthenate at 170℃; under 3000.3 Torr; for 2h; Stage #3: With oxygen; manganese(II) bromide; hydrogen bromide at 220℃; under 24752.5 Torr; for 1.5h; Conversion of starting material; | 66.6% |
Stage #1: 1,2,4-Trimethylbenzene; 2,4-dimethyl-benzoic acid With oxygen; cobalt(II) acetate In water at 120℃; under 3000.3 Torr; for 0.833333h; Stage #2: copper naphthenate; magnesium naphthenate at 170℃; under 3000.3 Torr; for 2h; Stage #3: With oxygen; manganese(II) bromide; hydrogen bromide at 220℃; under 24752.5 Torr; for 1.5h; Conversion of starting material; | 48.6% |
1,2,4-Trimethylbenzene
A
isophthalic acid
B
terephthalic acid
C
1,2,4-benzene tricarboxylic acid
D
benzene-1,2-dicarboxylic acid
Conditions | Yield |
---|---|
With sodium hydroxide; water; dihydrogen peroxide; manganese(II) bromide at 380℃; under 172517 Torr; | A n/a B n/a C 50% D n/a |
methyl coumalate
acetylenedicarboxylic acid diethyl ester
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
at 155℃; Destillieren des Reaktionsprodukts im Vakuum und Verseifen mit methylalkoh.KOH; | |
at 155℃; Erwaermen des Reaktionsprodukts mit methanol. Kalilauge; |
Conditions | Yield |
---|---|
With nitric acid |
2-methylterephthalic acid
A
isophthalic acid
B
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
With alkaline potassium permanganate |
Conditions | Yield |
---|---|
With potassium permanganate |
4-sulfophthalic acid
sodium formate
A
isophthalic acid
B
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
Reaktion des Kaliumsalzes, Schmelzen; |
Conditions | Yield |
---|---|
With potassium permanganate |
Conditions | Yield |
---|---|
With potassium permanganate | |
With nitric acid at 140℃; im Rohr; |
Conditions | Yield |
---|---|
With potassium permanganate; water |
indan-5-carboxylic acid
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
With alkaline permanganate | |
With nitric acid at 140℃; im Rohr; |
4-(tert-butyl)-2-methylbenzoic acid
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
With nitric acid at 240℃; |
4-cyano-phthalic acid diethyl ester
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
With sodium hydroxide |
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
With nitric acid at 120 - 140℃; im Rohr; |
2,4-bis-trichloromethyl-benzoyl chloride
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
With water; calcium carbonate |
Conditions | Yield |
---|---|
bei der Oxydation; |
4,4'-carbonyl-di-isophthalic acid
A
isophthalic acid
B
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
at 280 - 285℃; bei der Kalischmelze; |
propargyl alcohol
A
benzene-1,3,5-tricarboxylic acid
B
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
With bis(triphenylphosphine)nickel(0) dicarbonyl; benzene Erwaermen des Reaktionsprodukts mit wss. Salpetersaeure; |
ethylbenzene
1,2-dichloro-ethane
A
benzene-1,3,5-tricarboxylic acid
B
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
With aluminium trichloride Erhitzen des Reaktionsprodukts mit HNO3 auf 180grad; | |
With aluminium trichloride Erwaermen des Reaktionsprodukts mit HNO3 auf 180grad; |
methanol
1,2,4-benzene tricarboxylic acid
benzene-1,2,4-tricarboxylic acid trimethyl ester
Conditions | Yield |
---|---|
With boron trifluoride at 65℃; for 0.333333h; | 100% |
With sulfuric acid | |
With hydrogenchloride | |
With sulfuric acid |
1,2,4-benzene tricarboxylic acid
ammonium trimellitate
Conditions | Yield |
---|---|
With ammonia In water for 1.5h; Heating; | 99.7% |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 150℃; for 24h; | 95% |
1,2,4-benzene tricarboxylic acid
water
zinc(II) acetate dihydrate
N,N’-di(3-pyridyl)adipoamide
Conditions | Yield |
---|---|
at 120℃; for 48h; Autoclave; High pressure; | 95% |
Conditions | Yield |
---|---|
With triflic acid on silica-encapsulated superparamagnetic iron oxide nanoparticles In neat (no solvent) at 90℃; for 0.416667h; Catalytic behavior; Time; Reagent/catalyst; Flow reactor; Green chemistry; | 95% |
Conditions | Yield |
---|---|
With triflic acid on silica-encapsulated superparamagnetic iron oxide nanoparticles In neat (no solvent) at 90℃; for 1.33333h; Catalytic behavior; Time; Reagent/catalyst; Flow reactor; Green chemistry; | 92% |
With microporous aluminosilicates zeolite HBeta In toluene at 117℃; for 5h; Dean-Stark; |
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
With 1,4-dioxane; water In methanol; water at 80℃; for 24h; | 90% |
1,2,4-benzene tricarboxylic acid
4′-(4-carboxyphenyl)-3,2′:6′,3″-terpyridine
zinc(II) acetate dihydrate
Conditions | Yield |
---|---|
With sodium hydroxide In water at 180℃; for 72h; pH=5; Sealed tube; | 89% |
Conditions | Yield |
---|---|
In water at 120℃; for 2h; Autoclave; | 85% |
[2,2]bipyridinyl
1,2,4-benzene tricarboxylic acid
water
cobalt(II) diacetate tetrahydrate
Co3(C5H4N)4(C6H3(COO)3)2(H2O)2
Conditions | Yield |
---|---|
In water High Pressure; heated at a rate of 20°C/h to 230°C; maintaining at this temp. for 2 h; cooling at a rate of 5°C/h to 180°C; cooled at 2°C/h to 90°C; cooled to 50°C at 4°C/h; cooled to room temp. (5°C/h); elem.anal.; | 81% |
[2,2]bipyridinyl
1,2,4-benzene tricarboxylic acid
water
manganese (II) acetate tetrahydrate
Mn3(C5H4N)4(C6H3(COO)3)2(H2O)2
Conditions | Yield |
---|---|
In water High Pressure; heated at a rate of 20°C/h to 230°C; maintaining at this temp. for 2 h; cooling at a rate of 5°C/h to 180°C; cooled at 2°C/h to 90°C; cooled to 50°C at 4°C/h; cooled to room temp. (5°C/h); elem.anal.; | 80% |
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 90℃; | 80% |
1,2,4-benzene tricarboxylic acid
trimellitic acid amide-imide
Conditions | Yield |
---|---|
With urea at 250℃; for 2h; | 80% |
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
With piperazine In water High Pressure; mixt. of In(NO3)3*5H2O, 1,2,4-benzenetricarboxylic acid, piperazine, H2Oplaced in autoclave, heated at 443 K for 3 d, cooled to room temp. at 1 0 K/h; washed with H2O, dried in air; elem. anal.; | 78% |
1,2,4-benzene tricarboxylic acid
3,2′:6′,3′′-terpyridine-4′-carboxylic acid
Conditions | Yield |
---|---|
With sodium hydroxide In water at 180℃; for 72h; pH=5; High pressure; Autoclave; | 77% |
Conditions | Yield |
---|---|
With nitric acid In water at 150℃; for 12h; | 76.6% |
Conditions | Yield |
---|---|
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; tetrabutylammomium bromide; 5-methyl-dihydro-furan-2-one In N,N-dimethyl-formamide at 100℃; for 12h; | 76% |
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; tetrabutylammomium bromide In N,N-dimethyl-formamide at 100℃; for 12h; Sealed tube; | 76% |
1,2,4-benzene tricarboxylic acid
urea
cobalt(II) chloride
(29H,31H-2,9,16,23-tetracarboxyphthalocyaninato-N(29),N(30),N(31),N(32))cobalt(II)
Conditions | Yield |
---|---|
With sodium sulfate; ammonium molybdate In further solvent(s) a mixt. in 1-bromonaphthalene was stirred for 4 h at 210-215°C, cooled; diluted with methanol, filtered, washed with methanol, CHCl3 and water, squeezed, dried, refluxed with 10 NaOH (6 h) and 10 HCl (1 h); elem. anal.; | 75% |
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
In water; N,N-dimethyl-formamide at 180℃; for 72h; Autoclave; | 75% |
The IUPAC name of 1,2,4-Benzenetricarboxylic acid is benzene-1,2,4-tricarboxylic acid. With the CAS registry number 528-44-9 and EINECS 208-432-3, it is also named as Trimellitic acid. The product's category is Industrial / Fine Chemicals. It is white crystalline powder which is soluble in ethanol, dimethyl formamide and acetone, slightly soluble in water and ethyl acetate, almost insoluble in benzene, chloroform and carbon disulfide. Additionally, this chemical should be sealed in the container, avoided direct sunshineand stored in the cool, well-ventilated and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.24; (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: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 111.9 Å2; (11)Index of Refraction: 1.663; (12)Molar Refractivity: 47.043 cm3; (13)Molar Volume: 127.022 cm3; (14)Surface Tension: 92.247 dyne/cm; (15)Enthalpy of Vaporization: 81.628 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C; (17)Rotatable Bond Count: 3; (18)Exact Mass: 210.016438; (19)MonoIsotopic Mass: 210.016438; (20)Topological Polar Surface Area: 112; (21)Heavy Atom Count: 15; (22)Complexity: 297.
Preparation of 1,2,4-Benzenetricarboxylic acid: It can be obtained by the oxidation of partial trimethylbenzene (1,2,4-trimethylbenzene). We can use hydrogen nitrate, potassium permanganateor or liquid air to oxide.
Uses of 1,2,4-Benzenetricarboxylic acid: It is used to produce Partial benzene sarsechim anhydride and trimellitate. It is also used in resins, plasticizers, dyes, adhesives, etc. What's more, it can react with sulfuric acid mono-(2,2,2-trinitro-ethyl) ester to get benzene-1,2,4-tricarboxylic acid tris-(2,2,2-trinitro-ethyl) ester. This reaction reacts at temperature of 100 °C for 15 hours. The yield is 72%.
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:c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O
2. InChI:InChI=1/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
3. InChIKey:ARCGXLSVLAOJQL-UHFFFAOYAG
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 2500mg/kg (2500mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(7), Pg. 57, 1974. |
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View