2-nitroterephthalic acid
3-aminoterephthalic acid
Conditions | Yield |
---|---|
With potassium hydroxide; hydrogen; palladium on activated charcoal In water under 2585.7 Torr; for 12h; | 100% |
With palladium 10% on activated carbon; ammonium formate; silica gel In methanol for 1.5h; Milling; | 99% |
With hydrogen In ethanol at 20℃; under 760.051 Torr; for 4h; | 92% |
dimethyl aminoterephthalate
3-aminoterephthalic acid
Conditions | Yield |
---|---|
With water; sodium hydroxide In methanol at 60℃; for 3h; | 94% |
With sodium hydroxide for 2h; Heating; | |
With potassium hydroxide In tetrahydrofuran; water at 20℃; |
monoamide of trimellitic acid
3-aminoterephthalic acid
Conditions | Yield |
---|---|
With potassium hydroxide; bromine |
2-acetamidoterephthalic acid
3-aminoterephthalic acid
Conditions | Yield |
---|---|
With ethanol; sulfuric acid |
ethanol
sulfuric acid
2-acetamidoterephthalic acid
3-aminoterephthalic acid
hydrogenchloride
3-aminoterephthalic acid
1,2,4-Trimethylbenzene
3-aminoterephthalic acid
Conditions | Yield |
---|---|
Multi-step reaction with 6 steps 2: sulfuric acid 3: aqueous-methanolic KOH-solution 5: 100 °C / im Rohr 6: bromine; KOH-solution View Scheme |
terephthalic acid
3-aminoterephthalic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: HNO3+H2SO4 2: tin; hydrochloric acid View Scheme | |
Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / 10 h / 60 - 80 °C 2: tin(II) chloride dihdyrate; hydrogenchloride / water / 3 h / 80 °C View Scheme | |
Multi-step reaction with 2 steps 1: nitric acid; sulfuric acid / 1 h / 5 - 60 °C 2: tin(ll) chloride; hydrogenchloride / water / 3 h / 70 °C View Scheme |
1,2-dimethyl 1,2,4-benzenetricarboxylate
3-aminoterephthalic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 2: 100 °C / im Rohr 3: bromine; KOH-solution View Scheme |
1,2,4-benzene tricarboxylic acid
3-aminoterephthalic acid
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1: sulfuric acid 2: aqueous-methanolic KOH-solution 4: 100 °C / im Rohr 5: bromine; KOH-solution View Scheme |
benzene-1,2,4-tricarboxylic acid trimethyl ester
3-aminoterephthalic acid
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: aqueous-methanolic KOH-solution 3: 100 °C / im Rohr 4: bromine; KOH-solution View Scheme |
benzene-1,2,4-tricarboxylic acid-2-methyl ester
3-aminoterephthalic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 100 °C / im Rohr 2: bromine; KOH-solution View Scheme |
N-(2,5-dimethylphenyl)acetamide
3-aminoterephthalic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: potassium permanganate; magnesium sulfate 2: sulfuric acid; aqueous alcohol View Scheme |
L-Cysteine
1-phenyl 2-nitrosoterephthalate
A
6-carboxylic benzo[c]isoxazol-3(1H)-one
C
C22H14N2O9
D
3-aminoterephthalic acid
Conditions | Yield |
---|---|
Inert atmosphere; aq. phosphate buffer; |
A
3-aminoterephthalic acid
B
2-acetamidoterephthalic acid
Conditions | Yield |
---|---|
With hydrogen chloride In dimethylsulfoxide-d6; water-d2 Sonication; |
Conditions | Yield |
---|---|
With hydrogen chloride In dimethylsulfoxide-d6; water-d2 Sonication; |
Conditions | Yield |
---|---|
With hydrogen chloride In dimethylsulfoxide-d6; water-d2 Sonication; |
Conditions | Yield |
---|---|
With hydrogen chloride In dimethylsulfoxide-d6; water-d2 Sonication; |
A
2-(benzoylamide)terephthalic acid
B
3-aminoterephthalic acid
Conditions | Yield |
---|---|
With hydrogen chloride In dimethylsulfoxide-d6; water-d2 Sonication; |
Bis(2-Hydroxyethyl)terephthalat
3-aminoterephthalic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: sodium hydroxide; water / 0.67 h / 80 °C 2: sulfuric acid; nitric acid / 10 h / 60 - 80 °C 3: tin(II) chloride dihdyrate; hydrogenchloride / water / 3 h / 80 °C View Scheme | |
Multi-step reaction with 3 steps 1: sodium hydroxide; water / 0.67 h / 70 °C 2: nitric acid; sulfuric acid / 1 h / 5 - 60 °C 3: tin(ll) chloride; hydrogenchloride / water / 3 h / 70 °C View Scheme |
B
3-aminoterephthalic acid
Conditions | Yield |
---|---|
With sodium hydroxide In water-d2 |
Conditions | Yield |
---|---|
With sodium hydroxide In water-d2 |
Conditions | Yield |
---|---|
With sodium hydroxide In water-d2 |
3-aminoterephthalic acid
2-iodo-1,4-benzenedicarboxylic acid
Conditions | Yield |
---|---|
Stage #1: 3-aminoterephthalic acid With hydrogenchloride; sodium nitrite In water at 0℃; for 0.5h; Stage #2: With potassium iodide In water at 20℃; for 19h; | 100% |
Stage #1: 3-aminoterephthalic acid With sodium nitrite In hydrogenchloride at 0 - 5℃; for 1.25h; Stage #2: With potassium iodide In water at 20℃; for 18h; Further stages.; | 86% |
Stage #1: 3-aminoterephthalic acid With hydrogenchloride; sodium nitrite In water at 0℃; for 1.25h; Stage #2: With potassium iodide In water at 20℃; for 18h; | 83% |
With hydrogenchloride; potassium iodide; sodium nitrite In water at 20℃; Sandmeyer Reaction; | 74% |
Stage #1: 3-aminoterephthalic acid With hydrogenchloride; sodium nitrite In water Stage #2: With potassium iodide |
Conditions | Yield |
---|---|
With sulfuric acid for 18h; Reflux; | 99% |
With hydrogenchloride In water Reflux; | 87% |
With sulfuric acid at 70℃; for 18h; High pressure; Sealed tube; | 69% |
3-aminoterephthalic acid
Conditions | Yield |
---|---|
With lithium hydroxide In water at 20℃; for 1h; | 99% |
3-aminoterephthalic acid
cyclohexanone
9-oxo-5,6,7,8,9,10-hexahydro-acridine-3-carboxylic acid
Conditions | Yield |
---|---|
In diphenylether at 250℃; | 98% |
In diphenylether at 250℃; |
bis(trichloromethyl) carbonate
3-aminoterephthalic acid
2,4-dioxo-1,4-dihydro-2H-benzo[d][1,3]oxazine-7-carboxylic acid
Conditions | Yield |
---|---|
In tetrahydrofuran at 40 - 50℃; for 3h; | 97% |
In 1,4-dioxane at 20℃; for 6h; | 96.2% |
In tetrahydrofuran at 45 - 50℃; for 3h; Inert atmosphere; | 81% |
Conditions | Yield |
---|---|
In methanol for 0.25h; | 97% |
3-aminoterephthalic acid
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 110℃; | 96% |
3-aminoterephthalic acid
tetra(n-butyl)ammonium hydroxide
Conditions | Yield |
---|---|
In methanol; ethanol | 95% |
2-(3-(2,5-dimethylphenoxy)propyl)-2-methylpropionyl chloride
3-aminoterephthalic acid
Conditions | Yield |
---|---|
With sodium hydroxide In 1,4-dioxane; water at 0℃; for 10.5h; | 94.4% |
3-aminoterephthalic acid
N,N-dimethyl-formamide
Conditions | Yield |
---|---|
With lithium hydroxide In water at 100℃; for 5h; Autoclave; | 93% |
1,4-diaza-bicyclo[2.2.2]octane
3-aminoterephthalic acid
copper(II) acetate monohydrate
Conditions | Yield |
---|---|
Stage #1: 1,4-diaza-bicyclo[2.2.2]octane; 3-aminoterephthalic acid; copper(II) acetate monohydrate In neat (no solvent) at 20℃; for 2h; Milling; Stage #2: at 120℃; for 12h; | 93% |
3-aminoterephthalic acid
zirconium(IV) chloride
Conditions | Yield |
---|---|
In acetic acid; N,N-dimethyl-formamide at 220℃; for 0.0166667h; Microwave irradiation; | 92.5% |
Conditions | Yield |
---|---|
at 160℃; | 92% |
pyridine-4-carbaldehyde
3-aminoterephthalic acid
Conditions | Yield |
---|---|
In ethanol at 130℃; for 0.0833333h; | 92% |
2-(2-carboxylphenyl)-imidazo[4,5-f ]-1,10-phenanthroline
3-aminoterephthalic acid
water
Conditions | Yield |
---|---|
With sodium hydroxide at 174.84℃; for 72h; pH=7; Autoclave; | 92% |
1-(4-amino-3,5-dichlorophenyl)-2-bromoethan-1-one
3-aminoterephthalic acid
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide for 1h; | 90% |
3-aminoterephthalic acid
α-bromoacetophenone
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide for 1h; | 90% |
Conditions | Yield |
---|---|
Stage #1: 3-aminoterephthalic acid; 3-nitro-benzaldehyde In methanol at 20℃; for 1h; Stage #2: acetic anhydride for 1h; Heating; Further stages.; | 90% |
Conditions | Yield |
---|---|
In water; N,N-dimethyl-formamide Zn(NO3)2*6H2O (15 mmol) and 2-aminoterephthalic acid (5 mmol) dissolved in DMF (490 ml) + H2O (10 ml); heated (373 K, 24 h); cooled to room temp.; transfered in N2 box; solvent decanted; solid washed with anhyd. DMF by soaking (8 h); washed with anhyd. CH2Cl2 by soaking (8 h); dried (vac., 12 h); XRD; | 90% |
In further solvent(s) Zn(NO3)2*6H2O (61 mmol) and 2-aminoterephthalic acid (20 mmol) dissolvedin diethylformamide; heated (363 K, 24 h); cooled to room temp.; transfered in N2 box; solvent decanted; solid washed with anhyd. DMF by soaking (8 h); washed with anhyd. CH2Cl2 by soaking (8 h); dried (vac., 12 h); XRD; | 70% |
With triethylamine In N,N-dimethyl-formamide at 20℃; for 2h; | |
With N,N-dimethyl-formamide at 105℃; for 18h; |
3-aminoterephthalic acid
4-Methoxycarbonylbenzoyl chloride
2-(4-(мethoxycarbonyl)benzamido)terephthalic acid
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl acetamide at 20℃; for 1.5h; Cooling with ice; | 90% |
Conditions | Yield |
---|---|
With hydrogenchloride; acetic acid In N,N-dimethyl-formamide at 120℃; for 24h; Autoclave; | 90% |
3-aminoterephthalic acid
N,N-dimethyl-formamide
Conditions | Yield |
---|---|
With lithium hydroxide In water at 150℃; for 5h; Autoclave; | 90% |
3-aminoterephthalic acid
N,N-dimethyl-formamide
Conditions | Yield |
---|---|
In water at 115℃; for 72h; High pressure; Autoclave; | 90% |
Conditions | Yield |
---|---|
With sodium acetate In nitrobenzene at 150℃; for 48h; | 90% |
Conditions | Yield |
---|---|
Stage #1: 3-aminoterephthalic acid With sodium hydroxide In methanol for 0.166667h; Sonication; Stage #2: 3,5-dichlorosalicyclaldehyde In methanol at 20℃; for 2h; | 90% |
bis(trichloromethyl) carbonate
3-aminoterephthalic acid
N-ethyl glycine hydrochloride
8-[2,3,4,5-Tetrahydro-1H-1,4-benzodiazepin-2,5-dionyl]-carboxylic acid
Conditions | Yield |
---|---|
In pyridine; ethyl acetate | 88% |
2-iodocyclohex-2-en-1-one
3-aminoterephthalic acid
5-phenylamino-terephthalic acid dimethyl ester
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In ethanol at 75℃; for 3h; Inert atmosphere; | 88% |
3-aminoterephthalic acid
water
Conditions | Yield |
---|---|
In neat (no solvent) at 170℃; for 72h; Autoclave; | 88% |
The 2-Aminoterephthalic acid, with the CAS registry number of 10312-55-7, is also known as Aminoterephthalicacid. It belongs to the product categories of Phthalic Acids, Esters and Derivatives; Derivatives of phthalic acid; Aromatic Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. This chemical's molecular formula is C8H7NO4 and molecular weight is 181.15. What's more, its IUPAC name is 2-Aminoterephthalic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the 2-Aminoterephthalic acid are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): -2.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 44.34 cm3; (15)Molar Volume: 116.7 cm3; (16)Surface Tension: 87.7 dyne/cm; (17)Density: 1.551 g/cm3; (18)Flash Point: 226.4 °C; (19)Enthalpy of Vaporization: 74.78 kJ/mol; (20)Boiling Point: 450.7 °C at 760 mmHg; (21)Vapour Pressure: 6.54E-09 mmHg at 25 °C.
Preparation: this chemical is prepared by Nitro-terephthalic acid. The reaction needs reagents 37 % HCl, Hydrogen and solvents Tetrahydrofuran, Ethanol. It also needs catalyst Pd/C. The reaction time is 4 hours. The yield is about 73 %.
Uses: it is used to produce other chemicals. For example, it is used to produce Amino-terephthalic acid-4-methyl ester. This reaction needs reagent 98 % H2SO4. Other condition of this reaction is reaction time of 8 minutes at 60 °C. The yield is about 57 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. Besides, during using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES:O=C(O)c1ccc(cc1N)C(=O)O
(2) InChI:InChI=1/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
(3) InChIKey:GPNNOCMCNFXRAO-UHFFFAOYAI
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