ChemicalBook--->CAS DataBase List--->10312-55-7

10312-55-7

10312-55-7 Structure

10312-55-7 Structure
IdentificationMore
[Name]

2-AMINOTEREPHTHALIC ACID
[CAS]

10312-55-7
[Synonyms]

2-AMINO-1,4-BENZENEDICARBOXYLIC ACID
2-AMINOBENZENE-1,4-DICARBOXYLIC ACID
2-AMINOTEREPHTHALIC ACID
TIMTEC-BB SBB006751
2-Aminoterephthalic acid, 99+%
2-AMINOTEREPHTHALATE
[EINECS(EC#)]

246-119-3
[Molecular Formula]

C8H7NO4
[MDL Number]

MFCD00134536
[Molecular Weight]

181.15
[MOL File]

10312-55-7.mol
Chemical PropertiesBack Directory
[Appearance]

slight yellow crystalline powder
[Melting point ]

324 °C (dec.) (lit.)
[Boiling point ]

314.24°C (rough estimate)
[density ]

1.4283 (rough estimate)
[refractive index ]

1.5468 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

Granular Powder
[pka]

3.95±0.10(Predicted)
[color ]

Yellow
[Water Solubility ]

Slightly soluble in water.
[BRN ]

2805625
[InChI]

InChI=1S/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
[InChIKey]

GPNNOCMCNFXRAO-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)=CC=C(C(O)=O)C=C1N
[CAS DataBase Reference]

10312-55-7(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29224999
Hazard InformationBack Directory
[Chemical Properties]

slight yellow crystalline powder
[Uses]

2-Aminoterephthalic acid is used as a pharmaceutical intermediate.
[reaction suitability]

reaction type: solution phase peptide synthesis
[Synthesis]

Nitroterephthalic acid

610-29-7

2-AMINOTEREPHTHALIC ACID

10312-55-7

General procedure for the synthesis of 2-aminoterephthalic acid from 2-nitroterephthalic acid: in typical experiments, a mixture of nitroaromatic compounds (1.0 mmol), ammonium formate (3.3 mmol, 208 mg, 1.1 eq.), palladium catalyst (10% Pd/C, 2 mol%, 21 mg), and silicon dioxide (175 mg) was ball-milled in the presence of anhydrous methanol (η= 0.25 μL/mg) was ball-milled for 90 min in the presence of anhydrous methanol (η= 0.25 μL/mg). Upon completion of the milling, a small amount (~1 mg) of the crude reaction mixture was suspended in methanol and analyzed by thin-layer chromatography (TLC, usually using a solvent mixture of dichloromethane: methanol = 20:1 as eluent). The crude product was placed in a well-ventilated fume hood overnight, then suspended in methanol and filtered through a Büchner funnel. The filtrate is evaporated to give the target product 2-aminoterephthalic acid. If necessary, the final product can be further purified by column chromatography.

[References]

[1] Journal of Organic Chemistry, 1988, vol. 53, # 18, p. 4209 - 4218
[2] Molecules, 2018, vol. 23, # 12,
[3] Farmaco, Edizione Scientifica, 1984, vol. 39, # 11, p. 968 - 978
[4] Patent: CN103664684, 2016, B. Location in patent: Paragraph 0039
[5] Chemische Berichte, 1877, vol. 10, p. 145
Spectrum DetailBack Directory
[Spectrum Detail]

2-AMINOTEREPHTHALIC ACID(10312-55-7)MS
2-AMINOTEREPHTHALIC ACID(10312-55-7)1HNMR
2-AMINOTEREPHTHALIC ACID(10312-55-7)IR1
2-AMINOTEREPHTHALIC ACID(10312-55-7)IR2
2-AMINOTEREPHTHALIC ACID(10312-55-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Aminoterephthalic acid, 99+%(10312-55-7)
[Alfa Aesar]

2-Aminoterephthalic acid, 99%(10312-55-7)
[Sigma Aldrich]

10312-55-7(sigmaaldrich)
[TCI AMERICA]

2-Aminoterephthalic Acid,>98.0%(T)(10312-55-7)
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