2-AMINOTEREPHTHALIC ACID
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2-AMINOTEREPHTHALIC ACID
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CAS No:
10312-55-7
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Formula:
C8H7NO4
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Chemical Name:
2-AMINOTEREPHTHALIC ACID
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Synonyms:
2-AMINOTEREPHTHALIC ACID;2-AMINOBENZENE-1,4-DICARBOXYLIC ACID;2-AMINO-1,4-BENZENEDICARBOXYLIC ACID;TIMTEC-BB SBB006751;2-Aminoterephthalic acid, 99+%;2-AMINOTEREPHTHALATE;Aminoterephthalicacid;2-Aminobenzene-1,4-dicarboxylic acid, 2,5-Dicarboxyaniline
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CAS No:
Characteristics
101
1.6
Yellow Granular Powder
1.4283 (rough estimate)
324 °C (dec.)(lit.)
314.24°C (rough estimate)
226.4±27.3 °C
1.5468 (estimate)
Slightly soluble in water.
0mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 76 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-AMINOTEREPHTHALIC ACID Use and Manufacturing
General procedure: In a typical experiment, a mixture of nitroarene compound (1.0 mmol), ammonium formate (3.3 mmol, 208 mg, 1.1 equivalent), palladium catalyst (10 percent Pdon activated carbon, 2 molpercent, 21 mg) and silica (175 mg) was ball milled in thepresence of dry methanol (η = 0.25 μL mg−1) for 90 minutes. After milling, a smallsample (≈ 1 mg) of the crude reaction mixture was suspended in methanol andimmediately analyzed by TLC (typically using dichloromethane : methanol = 20 : 1mixture as an eluent). The crude mixture was left in a well ventilated hood overnight, suspended in methanol and filtered over a Büchner funnel. Evaporation of the filtrateafforded the desired amino-derivative. If necessary, the final product was purified bycolumn chromatography.1 part by weight of the nitro compound of PTA and 3 parts by weight of stannous chloride, 60 parts by weight of concentrated hydrochloric acid having a concentration of 35percent were uniformly mixed and reacted at 70 ° C for 3 hours. After the completion of the reaction, the reaction mixture was cooled to 30 ° C, trueVacuum filtration; filter cake to join the deionized water mixed evenly, and then vacuum filtration, repeat filter cake by adding deionized water mixed vacuum pumpingThe filter cake was dried three times at 70 ° C in vacuo for 3 hours to give the amino compound of PTA.The purity of the amino compound of PTA was 92percent and the yield was 63.3percent.
Computed Properties
Molecular Weight:181.15
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:181.03750770
Monoisotopic Mass:181.03750770
Topological Polar Surface Area:101
Heavy Atom Count:13
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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