[ CAS No. 5434-21-9 ] {[proInfo.proName]}

Name: 5434-21-9|4-Aminophthalic acid|95%
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Quality Control of [ 5434-21-9 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 5434-21-9 ]

CAS No. :	5434-21-9	MDL No. :	MFCD00013985
Formula :	C₈H₇NO₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OXSANYRLJHSQEP-UHFFFAOYSA-N
M.W :	181.15	Pubchem ID :	72912
Synonyms :

Calculated chemistry of [ 5434-21-9 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	3.0
Molar Refractivity :	44.76
TPSA :	100.62 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.16 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.31
Log Po/w (XLOGP3) :	0.34
Log Po/w (WLOGP) :	0.67
Log Po/w (MLOGP) :	-0.47
Log Po/w (SILICOS-IT) :	-0.09
Consensus Log Po/w :	0.15

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-1.39
Solubility :	7.43 mg/ml ; 0.041 mol/l
Class :	Very soluble
Log S (Ali) :	-2.02
Solubility :	1.74 mg/ml ; 0.00962 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-0.79
Solubility :	29.7 mg/ml ; 0.164 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.26

Safety of [ 5434-21-9 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 5434-21-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 5434-21-9 ]
Downstream synthetic route of [ 5434-21-9 ]

[ 5434-21-9 ] Synthesis Path-Upstream 1~6

1
[ 5434-21-9 ]
[ 89-20-3 ]

Reference： [1] Kogyo Kagaku Zasshi, Spl. 44 <1941> 450, [2] Chem.Abstr., 1951, p. 1544
[3] Kogyo Kagaku Zasshi, 1941, vol. 44, p. 1025

2
[ 610-27-5 ]
[ 5434-21-9 ]

Yield	Reaction Conditions	Operation in experiment
96%	With hydrogen In ethanol at 20℃; for 3 h;	1 g (4.73 mmol) of 4-nitrophthalic acid is dissolved in 10 ml of anhydrous ethanol. The solution is stirred at room temperature and degassed under argon. 50 mg of 5percent palladium/carbon are added all at once and hydrogen is bubbled through the solution. After 3 hours, the solution is filtered on celite and then evaporated. [00347] Orange-coloured oil. m=820 mg. Y=96percent. ¹H NMR (DMSO): 3.32 (1H, s), 5.95 (1H, s), 6.49-6.53 (2H, m), 7.46-7.50 (1H, d, J=8.8 Hz), 12.33 (2H, COOH, s).
96%	With hydrogen In ethanol at 20℃; for 3 h;	1 g (4.73 mmol) of 4-nitrophthalic acid is dissolved in 10 mL of anhydrous ethanol. The solution is stirred at room temperature and degassed under argon. 50 mg of palladium/charcoal (5percent) are added in a single portion and hydrogen is bubbled into the solution. After 3 hours, the solution is filtered through Celite and then evaporated. [00137] Orange-coloured oil. m=820 mg. Y=96percent. ¹H NMR (DMSO): 3.32 (1H, s), 5.95 (1H, s), 6.49-6.53 (2H, m), 7.46-7.50 (1H, d, J=8.8 Hz), 12.33 (2H, COOH, s).

Reference： [1] Patent: US6689922, 2004, B1, . Location in patent: Page column 20
[2] Patent: US6706725, 2004, B1, . Location in patent: Page column 11
[3] Chemical Communications, 2017, vol. 53, # 62, p. 8751 - 8754
[4] Justus Liebigs Annalen der Chemie, 1881, vol. 208, p. 230
[5] Journal of the American Chemical Society, 1908, vol. 30, p. 1143
[6] Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1878, vol. 10, p. 192[7] Justus Liebigs Annalen der Chemie, 1881, vol. 208, p. 225
[8] Chemische Berichte, 1901, vol. 34, p. 4352
[9] Justus Liebigs Annalen der Chemie, 1881, vol. 208, p. 230
[10] Journal of the American Chemical Society, 1908, vol. 30, p. 1143
[11] Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1878, vol. 10, p. 192[12] Justus Liebigs Annalen der Chemie, 1881, vol. 208, p. 225
[13] Journal of medicinal chemistry, 1966, vol. 9, # 1, p. 165 - 168
[14] Letters in Drug Design and Discovery, 2013, vol. 10, # 9, p. 872 - 878

3
[ 1609672-16-3 ]
[ 5434-21-9 ]

Reference： [1] European Journal of Organic Chemistry, 2014, vol. 2014, # 12, p. 2443 - 2450

4
[ 610-22-0 ]
[ 5434-21-9 ]

Reference： [1] Journal of the American Chemical Society, 1908, vol. 30, p. 1143
[2] Journal of the American Chemical Society, 1906, vol. 28, p. 618

5
[ 88-99-3 ]
[ 5434-21-9 ]

Reference： [1] Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1878, vol. 10, p. 192[2] Justus Liebigs Annalen der Chemie, 1881, vol. 208, p. 225
[3] Justus Liebigs Annalen der Chemie, 1881, vol. 208, p. 230

6
[ 85-44-9 ]
[ 5434-21-9 ]

Reference： [1] Letters in Drug Design and Discovery, 2013, vol. 10, # 9, p. 872 - 878

[ 5434-21-9 ] Synthesis Path-Downstream 1~74

1
[ 610-27-5 ]
[ 5434-21-9 ]

Yield	Reaction Conditions	Operation in experiment
96%	With hydrogen;5%-palladium/activated carbon; In ethanol; at 20℃; for 3h;	1 g (4.73 mmol) of 4-nitrophthalic acid is dissolved in 10 ml of anhydrous ethanol. The solution is stirred at room temperature and degassed under argon. 50 mg of 5% palladium/carbon are added all at once and hydrogen is bubbled through the solution. After 3 hours, the solution is filtered on celite and then evaporated. [00347] Orange-coloured oil. m=820 mg. Y=96%. 1H NMR (DMSO): 3.32 (1H, s), 5.95 (1H, s), 6.49-6.53 (2H, m), 7.46-7.50 (1H, d, J=8.8 Hz), 12.33 (2H, COOH, s).
96%	With hydrogen;5%-palladium/activated carbon; In ethanol; at 20℃; for 3h;	1 g (4.73 mmol) of 4-nitrophthalic acid is dissolved in 10 mL of anhydrous ethanol. The solution is stirred at room temperature and degassed under argon. 50 mg of palladium/charcoal (5%) are added in a single portion and hydrogen is bubbled into the solution. After 3 hours, the solution is filtered through Celite and then evaporated. [00137] Orange-coloured oil. m=820 mg. Y=96%. 1H NMR (DMSO): 3.32 (1H, s), 5.95 (1H, s), 6.49-6.53 (2H, m), 7.46-7.50 (1H, d, J=8.8 Hz), 12.33 (2H, COOH, s).

Reference： [1]Patent: US6689922,2004,B1 .Location in patent: Page column 20
[2]Patent: US6706725,2004,B1 .Location in patent: Page column 11
[3]Chemical Communications,2017,vol. 53,p. 8751 - 8754
[4]Justus Liebigs Annalen der Chemie,1881,vol. 208,p. 230
[5]Chemische Berichte,1901,vol. 34,p. 4352
[6]Justus Liebigs Annalen der Chemie,1881,vol. 208,p. 230
[7]Journal of medicinal chemistry,1966,vol. 9,p. 165 - 168
[8]Letters in drug design and discovery,2013,vol. 10,p. 872 - 878

2
[ 610-22-0 ]
[ 5434-21-9 ]

Reference： [1]Journal of the American Chemical Society,1908,vol. 30,p. 1143

3
[ 5434-21-9 ]
[ 17011-53-9 ]

Reference： [1]Journal of the American Chemical Society,1908,vol. 30,p. 1143

4
[ 5434-21-9 ]
[ 89-20-3 ]

Reference： [1]Kogyo Kagaku zasshi / Journal of the Society of Chemical Industry, Spl. 44 <1941> 450,
Chem.Abstr.,1951,p. 1544

5
[ 5434-21-9 ]
[ 99-05-8 ]

Reference： [1]Journal of the American Chemical Society,1908,vol. 30,p. 1143

6
[ 5434-21-9 ]
[ 108-24-7 ]
[ 22235-04-7 ]

Reference： [1]Journal of the American Chemical Society,1908,vol. 30,p. 1143

7
[ 5434-21-9 ]
[ 75-36-5 ]
[ 22235-04-7 ]

Reference： [1]Journal of the American Chemical Society,1908,vol. 30,p. 1143

8
[ 5434-21-9 ]
[ 62-53-3 ]
[ 20871-03-8 ]

Reference： [1]Journal of the American Chemical Society,1908,vol. 30,p. 1143

9
[ 5434-21-9 ]
[ 6068-72-0 ]
[ 144907-46-0 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 3633 - 3640

10
[ 5434-21-9 ]
[ 122-04-3 ]
[ 59529-53-2 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 3633 - 3640

11
[ 5434-21-9 ]
[ 100-36-7 ]
[ 77763-89-4 ]

Reference： [1]European Journal of Medicinal Chemistry,1981,vol. 16,p. 59 - 64

12
[ 2307-00-8 ]
KOH-solution [ No CAS ]
[ 5434-21-9 ]
[ 74-89-5 ]

Reference： [1]Journal of the American Chemical Society,1908,vol. 30,p. 1143

13
[ 610-27-5 ]
sodium sulfide [ No CAS ]
[ 5434-21-9 ]

Reference： [1]Journal of the American Chemical Society,1908,vol. 30,p. 1143

14
[ 7647-01-0 ]
[ 610-27-5 ]
tin dichloride [ No CAS ]
[ 5434-21-9 ]

Reference： [1]Journal of the American Chemical Society,1908,vol. 30,p. 1143

15
[ 7647-01-0 ]
[ 610-27-5 ]
tin [ No CAS ]
[ 5434-21-9 ]

Reference： [1]Journal of the American Chemical Society,1908,vol. 30,p. 1143

Yield	Reaction Conditions	Operation in experiment
		Compounds VIII 1-amino-3,5-dicarboxy-benzene 1-amino-2,5-dicarboxy-benzene 1-amino-2,4-dicarboxy-benzene 1-amino-3,4-dicarboxy-benzene 1-amino-2,3-dicarboxy-benzene aminoacetic acid methylaminoacetic acid 3-aminopropionic acid 4-aminobutyric acid ...

19
<4-amino-phthalic acid >-imide [ No CAS ]
[ 5434-21-9 ]

Reference： [1]Journal of the American Chemical Society,1908,vol. 30,p. 1143

20
[ 7647-01-0 ]
[ 5434-21-9 ]
[ 99-05-8 ]

Reference： [1]Justus Liebigs Annalen der Chemie,1881,vol. 208,p. 230

21
[ 50-00-0 ]
[ 5434-21-9 ]
[ 39519-77-2 ]

Yield	Reaction Conditions	Operation in experiment
	With 5%-palladium/activated carbon; hydrogen; In methanol; at 20℃; for 3h;	(1) <strong>[5434-21-9]4-aminophthalic acid</strong> (1.81 g, 10 mmol),37% HCHO (5 mL),5% Pd/C (0.2 g) was dissolved in 20 mL of methanol.When the amount of <strong>[5434-21-9]4-aminophthalic acid</strong> is 10 mmol,The commercially available mass fraction is 37% formaldehyde aqueous solution and the solvent methanol volume is 5 mL: 20 mL, and hydrogen is an amino-dimethylated hydrogen source.The system was replaced three times under nitrogen and hydrogen atmospheres.Finally, it was stirred for 3 hours under a hydrogen atmosphere at room temperature.The reaction was monitored by TLC until <strong>[5434-21-9]4-aminophthalic acid</strong> was completely consumed.The reaction was terminated and 5% Pd/C in the system was filtered and the filtrate was concentrated.A pale yellow solid was obtained which was used without further purification.

Reference： [1]Organic and Biomolecular Chemistry,2004,vol. 2,p. 1965 - 1966
[2]Organic and Biomolecular Chemistry,2011,vol. 9,p. 7629 - 7632
[3]Patent: CN108912078,2018,A .Location in patent: Paragraph 0013; 0014

22
[ 5434-21-9 ]
[ 77763-90-7 ]

Reference： [1]European Journal of Medicinal Chemistry,1981,vol. 16,p. 59 - 64

23
[ 5434-21-9 ]
[ 81994-67-4 ]

Reference： [1]European Journal of Medicinal Chemistry,1981,vol. 16,p. 59 - 64

24
[ 5434-21-9 ]
[ 81994-68-5 ]

Reference： [1]European Journal of Medicinal Chemistry,1981,vol. 16,p. 59 - 64

25
[ 88-99-3 ]
[ 5434-21-9 ]

Reference： [1]Zhurnal Russkago Fiziko-Khimicheskago Obshchestva,1878,vol. 10,p. 192
Justus Liebigs Annalen der Chemie,1881,vol. 208,p. 225
[2]Justus Liebigs Annalen der Chemie,1881,vol. 208,p. 230

26
[ 5434-21-9 ]
[ 268232-32-2 ]

Yield	Reaction Conditions	Operation in experiment
69%		A solution of 2.55 g (37 mmol) of sodium nitrite in 10 ml of water is added, dropwise, at 0 C., to 5 g (27.6 mmol) of <strong>[5434-21-9]4-aminophthalic acid</strong> in 30 ml of 20% sulphuric acid. This solution is added to 7.26 g (43.7 mmol) of potassium iodide, 7.35 g (38.6 mmol) of copper iodide in 30 ml of 20% sulphuric acid. The stirring is continued for 2 hours at room temperature and then for 3 hours at 50 C. The medium is then poured into ethyl acetate. It is extracted with a saturated aqueous sodium thiosulphate solution and then with a saturated aqueous sodium hydrogen carbonate solution. The aqueous phase is then acidified with hydrochloric acid up to pH 1 and extracted with ethyl acetate. The organic phase is dried over magnesium sulphate and concentrated. The product obtained is dissolved in anhydrous THF and cooled to 0 C. 110 ml of borane 1M/THF are added dropwise. 3 hours later, a solution of 250 ml of a THF/water mixture (1/1) is added very slowly. After decantation, the aqueous phase is extracted with ether. The organic phase is washed several times with water and then dried over magnesium sulphate and concentrated. The residue is purified on a silica column (ethyl acetate 80-heptane 20). [00310] Colourless oil. m=4.9 g. Y=69%. 1H NMR (DMSO): 4.56-4.61 (4H, m), 5.25-5.35 (2H, OH, m), 7.28-7.31 (1H, d, J=8 Hz), 7.68-7.72 (1H, dd, J=6.5 Hz, J'=1.5 Hz), 7.84 (1H, s)

Reference： [1]Patent: US6689922,2004,B1 .Location in patent: Page column 17-18

27
[ 5434-21-9 ]
[ 610-35-5 ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid; sodium nitrite; In water; at 0 - 100℃; for 1.25h;	A solution of 5 g (27.6 mmol) of <strong>[5434-21-9]4-aminophthalic acid</strong> in 50 ml of 1M sulphuric acid is cooled to 0 C. and a solution of 2.27 g of sodium nitrite in 6 ml of water is then slowly added. After 15 minutes at 0 C., 15 ml of concentrated sulphuric acid are added and the mixture is heated at 100 C., with vigorous stirring, for 1 hour. At room temperature, the reaction medium is extracted with ethyl acetate and washed with water. After decantation, the organic phase is dried over magnesium sulphate and concentrated. The residue is purified on a silica column (dichloromethane 80-methanol 20). It is then dissolved in 100 ml of methanol and refluxed with 2 ml of acetic acid. After the disappearance of the diacid, the methanol is evaporated and the product is taken up in ethyl acetate and washed with water. [00350] M=5.2 g. Y=90%. 1H NMR (DMSO): 3.64 (3H, s), 3.67 (3H, s), 6.79-6.86 (2H, m), 7.56-7.60 (1H, d, J=8.4 Hz), 10.51 (1H, OH, s).
	With sulfuric acid; sodium nitrite; In water; at 0 - 100℃; for 1.25h;	A solution of 5 g (27.6 mmol) of <strong>[5434-21-9]4-aminophthalic acid</strong> in 50 mL of sulphuric acid (1 M) is cooled to 0 C. A solution of 2.27 g of sodium nitrite in 6 mL of water is then added slowly. After 15 minutes at 0 C., 15 mL of concentrated sulphuric acid are added and the mixture is maintained at 100 C. with vigorous stirring for 1 hour. At room temperature, the reaction medium is extracted with ethyl acetate and washed with water. After separation of the phases by settling, the organic phase is dried over magnesium sulphate and concentrated. The residue is purified on a column of silica (80 dichloromethane/20 methanol). It is then dissolved in 100 mL of methanol and refluxed with 2 mL of sulphuric acid. After disappearance of the diacid, the methanol is evaporated off and the product is taken up in ethyl acetate and washed with water. The organic phase is separated out after settling, dried over sodium sulphate and evaporated. [00140] M=5.2 g. Y=90%. 1H NMR (DMSO): 3.64 (3H, s), 3.67 (3H, s), 6.79-6.86 (2H, m), 7.56-7.60 (1H, d, J=8.4 Hz), 10.51 (1H, OH, s).

Reference： [1]Patent: US6689922,2004,B1 .Location in patent: Page column 20
[2]Patent: US6706725,2004,B1 .Location in patent: Page column 11

28
[ 13734-34-4 ]
[ 5434-21-9 ]
1S-(3,5-dimethyloxycarbonylphenylaminocarbonyl)-2-phenylethyl-amine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In methanol;	a. 1S-(3,5-dimethyloxycarbonylphenylaminocarbonyl)-2-phenylethyl-amine <strong>[5434-21-9]5-Aminophthalic acid</strong> was converted to the dimethyl ester on heating under reflux in acidified methanol. This was then coupled to BOC-L-phenylalanine and the BOC group removed following the procedures described in example 1 steps c and d to afford the title compound.

Reference： [1]Patent: US5939437,1999,A

29
[ 108-30-5 ]
[ 5434-21-9 ]
4-(succinamidyl)-phthalic acid [ No CAS ]
[ 56896-83-4 ]

Yield	Reaction Conditions	Operation in experiment
	In 1,4-dioxane;	EXAMPLE 10 SPC19 65.1 g (0.36 mol) of <strong>[5434-21-9]4-aminophthalic acid</strong> in 500 ml of dioxane are reacted with 37.8 g (0.38 mol) of succinic anhydride, in the manner described in Example 9, to give 4-(succinamidyl)-phthalic acid, and the latter is subsequently cyclised. 66 g (77% of theory) of 4-(succinimidyl)-phthalic anhydride of melting point 228-230C are obtained.

Reference： [1]Patent: US3979393,1976,A

30
[ 5434-21-9 ]
[ 102-56-7 ]
2,5-dimethoxy-4-(3,4-dicarboxyphenylazo)aniline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In hydrogenchloride; water;	Dyestuffs 21 and 22 The diazonium salt obtained by the diazotisation of 2.3 parts of <strong>[5434-21-9]4-aminophthalic acid</strong> in 10 parts of 2N hydrochloric acid and 20 parts of water is added to a solution of 1.53 parts of 2,5-dimethoxyaniline in 20 parts of 2N hydrochloric acid and 20 parts of water at 0-5C. When coupling is complete the solution is diluted with water and the precipitated 2,5-dimethoxy-4-(3,4-dicarboxyphenylazo)aniline (Dyestuff 21) filtered off, washed with water and dried.

Reference： [1]Patent: US3934972,1976,A

31
[ 883-99-8 ]
[ 5434-21-9 ]
1-(3,4-dicarboxyphenylazo)3-carbomethoxy-2-naphthol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In hydrogenchloride; sodium hydroxide; water;	Dyestuff 19 The diazonium salt obtained by the diazotisation of 2.3 parts of <strong>[5434-21-9]4-aminophthalic acid</strong> in 10 parts of 2N hydrochloric acid and 20 parts of water is added to 2 parts of 3-carbomethoxy-2-naphthol in 20 parts of 2N sodium hydroxide and 20 parts of water at 0-5C. Acetone and sufficient 2N sodium hydroxide are added to maintain an alkaline reaction and keep the dyestuff in solution. When coupling is complete the reaction mixture is acidified with hydrochloric acid and the precipitated 1-(3,4-dicarboxyphenylazo)3-carbomethoxy-2-naphthol filtered off, washed with water and dried.

Reference： [1]Patent: US3934972,1976,A

32
[ 5434-21-9 ]
[ 53715-97-2 ]
4-(glutaramidyl)-phthalic acid [ No CAS ]
4-(glutarimidyl)-phthalic anhydride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In 1,4-dioxane;	EXAMPLE 11 SPC20 65.1 g (0.36 mol) of <strong>[5434-21-9]4-aminophthalic acid</strong> in 500 ml of dioxane are reacted with 43.12 g (0.38 mol) of glutaric anhydride, in the manner described in Example 9, to give 4-(glutaramidyl)-phthalic acid, and the latter is subsequently cyclised. 70 g (75% of theory) of 4-(glutarimidyl)-phthalic anhydride of melting point 220-222C are obtained.

Reference： [1]Patent: US3979393,1976,A

33
[ 5434-21-9 ]
[ 39178-35-3 ]
[ 1245212-48-9 ]

Reference： [1]Polyhedron,2010,vol. 29,p. 2454 - 2461

34
[ 5434-21-9 ]
[ 95-68-1 ]
[ 1351486-85-5 ]

Reference： [1]ChemBioChem,2011,vol. 12,p. 2640 - 2646

35
[ 5434-21-9 ]
[ 95-68-1 ]
[ 329020-69-1 ]

Reference： [1]ChemBioChem,2011,vol. 12,p. 2640 - 2646

36
[ 24424-99-5 ]
[ 5434-21-9 ]
C₁₃H₁₅NO₆ [ No CAS ]

Reference： [1]New Journal of Chemistry,2012,vol. 36,p. 2188 - 2191

37
[ 5434-21-9 ]
[ 1404300-70-4 ]

Reference： [1]New Journal of Chemistry,2012,vol. 36,p. 2188 - 2191

38
[ 5434-21-9 ]
[ 1404300-77-1 ]

Reference： [1]New Journal of Chemistry,2012,vol. 36,p. 2188 - 2191

39
[ 5434-21-9 ]
[ 1062214-41-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 816 - 820

40
[ 5434-21-9 ]
[ 1062213-68-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 816 - 820

41
[ 5434-21-9 ]
C₂₂H₁₉F₂NO₅S [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 816 - 820

42
[ 5434-21-9 ]
[ 1062214-10-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 816 - 820

43
[ 5434-21-9 ]
[ 1062214-08-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 816 - 820

44
[ 64-17-5 ]
[ 5434-21-9 ]
[ 22572-84-5 ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid; In dichloromethane; for 12h;Reflux;	General procedure: 4-Aminophthalic acid (10 g) was suspended in ethanol (150 mL) and conc H2SO4 (20 mL) was added. The mixture was refluxed for 12 h and the ethanol evaporated under vacuum. Water was added to the residue and the solution neutralised carefully with saturated NaHCO3 solution. The precipitate was collected, washed with water and extracted with ethyl acetate. The organic was dried (Na2SO4), evaporated under vacuum and purified by column chromatography (EtOAc / petroleum spirit) to give a yellow oil, which solidified on standing to give diethyl <strong>[5434-21-9]4-aminophthalate</strong> as a pale brown powder, used without further
	With sulfuric acid; for 12h;Reflux;	General procedure: 4-Aminophthalic acid (10 g) was suspended in ethanol (150 mL) and conc H2SO4 (20 mL) was added. The mixture was refluxed for 12 h and the ethanol evaporated under vacuum. Water was added to the residue and the solution neutralised carefully with saturated NaHCO3 solution. The precipitate was collected, washed with water and extracted with ethyl acetate. The organic was dried (Na2SO4), evaporated under vacuum and purified by column chromatography (EtOAc / petroleum spirit) to give a yellow oil, which solidified on standing to give diethyl <strong>[5434-21-9]4-aminophthalate</strong> as a pale brown powder, used without further

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 816 - 820
[2]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 816 - 820

45
cobalt(II) nitrate hexahydrate [ No CAS ]
[ 5434-21-9 ]
[ 1427499-11-3 ]

Yield	Reaction Conditions	Operation in experiment
67%	With sodium hydroxide; In water; at 150℃; for 48h;Autoclave;	A mixture of Co(NO3)2·6H2O (0.116 g, 0.40 mmol), <strong>[5434-21-9]4-aminophthalic acid</strong> (0.054 g, 0.30 mmol), NaOH (0.016 g, 0.40 mmol) and H2O (10 mL) was sealed in a 25 mL Teflon-lined stainless steel vessel and heated at 150 C for 2 days, and then cooled to room temperature. Red block-shaped crystals were filtered off, washed with water and dried in air. Yield: 67% based on 4apa. Anal. Calc. for C8H9CoNO5 (258.08): C, 37.23; H, 3.51; N, 5.43. Found: C, 37.45; H, 3.80; N, 5.59%

Reference： [1]Polyhedron,2013,vol. 51,p. 283 - 291

46
[ 5434-21-9 ]
[ 108-95-2 ]
[ 1417825-89-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 5332 - 5338

47
[ 1609672-16-3 ]
[ 5434-21-9 ]

Reference： [1]European Journal of Organic Chemistry,2014,vol. 2014,p. 2443 - 2450

48
[ 85-44-9 ]
[ 5434-21-9 ]

Reference： [1]Letters in drug design and discovery,2013,vol. 10,p. 872 - 878

49
[ 5434-21-9 ]
barium 4-aminobenzene-1,2-dioate [ No CAS ]

Reference： [1]Letters in drug design and discovery,2013,vol. 10,p. 872 - 878

50
[ 5434-21-9 ]
4-amino(trans-cyclohexane-1,2-diamine)phthalate platinum(II) [ No CAS ]

Reference： [1]Letters in drug design and discovery,2013,vol. 10,p. 872 - 878

51
[ 5434-21-9 ]
GMA/MMA-AG [ No CAS ]
GMA/MMA-PA [ No CAS ]

Reference： [1]Organic Process Research and Development,2015,vol. 19,p. 1374 - 1382

52
[ 79-37-8 ]
[ 5434-21-9 ]
oxalamide N,N′-bis(4-phthalic acid) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75%	In tetrahydrofuran; at 0℃; for 5h;	Oxamide N,N-bis(4-phthalicacid)(obpha) H4L was prepared in an analogous way to that reported for oxamide bis(2-benzoic) acid (H4obbz)[12] with slight modification (Scheme 2); 1.3 g (0.01 mol) of oxalyl chloride was added dropwise to a solution of 3.0 g (0.022 mol) of <strong>[5434-21-9]4-aminophthalic acid</strong> in 50 mL of THF, and the mixture was stirred at 0 C for 5 h. H4L precipitated as a white solid and was filtered off, washed with THF and dried. The yield was 75 %. Anal. Calcd for C18H12N2O10 (MW = 416) C, 51.9; H,2.88; N, 6.73; O, 38.46. Found: C, 51.83; H, 2.84; N, 6.70;O, 38.37. IR (cm-1) 3856 (w), 3746 (w), 3190 (s), 2984 (w), 2637(w), 2550 (w), 1701 (s), 1582 (m), 1517 (s), 1407 (m), 1385 (m), 1300 (m), 1213 (m), 1136 (w), 1072 (w), 885 (w), 854 (w), 778 (w), 657 (w), 569 (w), 516 (w), 457 (w), 417 (w) fig (S1).

Reference： [1]Transition Metal Chemistry,2016,vol. 41,p. 133 - 141

53
[ 14254-57-0 ]
[ 5434-21-9 ]
[ 1245212-48-9 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In dichloromethane; at 20℃;	General procedure: A similar method was previously reported [2,3]. A mixture of isonicotinic acid (2.46g, 20 mmol) and SOCl2 (20 mL) was refluxed for 2 hours then excessSOCl2 was removed under vacuum. The residue was dissolved in dry dichloromethane(40 mL). To the solution was added 5-Aminoisophthalic acid (3.62 g, 20 mmol)and then triethylamine (5.6 mL, 40 mmol). The reaction mixture was stirredovernight at ambient temperature and dichloromethane was removed by rotaryevaporation, the solid then dissolved in 5% NaOH followed by slowly acidified withconc. HCl. Precipitate appears and filtered, washed with water and dried to giveA3 as a light yellow solid

Reference： [1]Tetrahedron Letters,2016,vol. 57,p. 1867 - 1872

54
[ 5434-21-9 ]
[ 54481-10-6 ]
C₂₄H₂₄N₄O₆ [ No CAS ]

Reference： [1]Patent: JP5670462,2015,B2

55
[ 5434-21-9 ]
[ 54481-10-6 ]
C₁₈H₁₆N₄O₆ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		Obtained in Synthesis Example 4 3-aminophthalic di (2-methoxyethyl) 11.7 g, was dissolved in 6.5 wt% hydrochloric acid 229 g, was stirred at 0 C..The solution of sodium nitrite 2.87g in water (34 g) was slowly added dropwise to and stirred for 1 hour at 0 C., the solution (solution 2-A) was prepared. Separately, a solution obtained by sodium hydroxide 2.05g was dissolved in water 102 g, 1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridin-carbonitrile 7. in addition to 41 g, solution (solution 2-B) were prepared. 0 respect cooled solution 2-B, the was added dropwise 2-A.After 10 minutes, dropwise aqueous sodium carbonate solution, it was adjusted to pH 6 ~. 7 of the above mixture.The precipitate was filtered off, washed with water, after purification by re-precipitation with acetonitrile / water, and vacuum dried overnight at 60 C., 13.4 g (yield azo compound (2): 70 mol %)Obtained.

Reference： [1]Patent: JP5670462,2015,B2 .Location in patent: Paragraph 0190-0195

56
[ 5434-21-9 ]
[ 119-67-5 ]
3-[(3,4-dicarboxyphenyl-3-yl)amino]-2-benzofuran-1(3H)-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
86%	In methanol; at 20℃; for 1h;Green chemistry;	At room temperature, 2-carboxy benzaldehyde (1.1mol) of 5-amino-phthalic acid (1mol) in a methanol solvent system, under tetrabutylammonium bromide (0.03mol) catalysis, the reaction was stirred for 1 hour, the solvent was removed in vacuo, the solid was washed with 95% ethanol to obtain a crude product. Silica gel column chromatography (eluent: chloroform / methanol (40/1)) and concentrated to give a white solid after purification, it yields 86%.

Reference： [1]Patent: CN105399713,2016,A .Location in patent: Paragraph 0015

57
[ 5434-21-9 ]
4-azidophthalic acid [ No CAS ]

Reference： [1]Chemical Communications,2017,vol. 53,p. 8751 - 8754

58
[ 5434-21-9 ]
N-(3-(4-sulfamoylbenzamido)propyl)-4-azidophthalimide [ No CAS ]

Reference： [1]Chemical Communications,2017,vol. 53,p. 8751 - 8754

59
[ 5434-21-9 ]
N-(2-(2-(4-sulfamoylbenzamido)ethoxy)ethyl)-4-azidophthalimide [ No CAS ]

Reference： [1]Chemical Communications,2017,vol. 53,p. 8751 - 8754

60
[ 5434-21-9 ]
N-(2-(2-(2-(4-sulfamoylbenzamido)ethoxy)ethoxy)ethyl)-4-azidophthalimide [ No CAS ]

Reference： [1]Chemical Communications,2017,vol. 53,p. 8751 - 8754

61
[ 5434-21-9 ]
N-(2-(2-(2-(biotinylamino)ethoxy)ethoxy)ethyl)-4-azidophthalimide [ No CAS ]

Reference： [1]Chemical Communications,2017,vol. 53,p. 8751 - 8754

62
[ 5434-21-9 ]
[ 119389-05-8 ]
C₂₄H₁₃NO₆ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In 1-methyl-pyrrolidin-2-one; at 75 - 180℃;Inert atmosphere;	In a nitrogen protection device,Magnetic stirring,And equipped with a spherical condenser trap 250mL three-necked flask,Add 10 g of <strong>[5434-21-9]5-aminophthalic acid</strong> and 80 mL of NMP.Under nitrogen protection,Stirred for 30min to obtain a homogeneous solution,Then, 13 g of 4-phenylacetylene phthalic anhydride was added,The solution was heated to 75 ° C,Hold 2h; then add 20g of toluene,The reaction was gradually warmed to 180 ° C,The generated water is taken out by the water trap; after 6-8 hours of reaction,Cooled to 120 ° C,The mixed solution was poured into excess deionized water,Suction filtration, washing and drying.That is, 4- (4-phenylacetophenyleneiminide) -1,2-dibenzoic acid was obtained.

Reference： [1]Patent: CN104592094,2017,B .Location in patent: Paragraph 0065; 0066

63
[ 5434-21-9 ]
6H,12H-5,11-methanodibenzo[b, f][1,5]diazocine-2,3,8,9-tetracarboxylic dianhydride [ No CAS ]

Reference： [1]Patent: CN106749297,2017,A
[2]Patent: CN106749297,2017,A

64
[ 50-00-0 ]
[ 5434-21-9 ]
6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine-2,3,8,9-tetracarboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
86%	With trifluoroacetic acid; at -10 - 0℃; for 100h;	-10 oC,In a 250 mL dry three-necked flask were added 60 mmol of 4-<strong>[5434-21-9]APA</strong> and 120 mmol of paraformaldehyde,Stirring with a constant pressure funnel slowly dropping 120 mL of trifluoroacetic acid,The solution turns red, after the addition is completed,The reaction was continued at 0 oC for 100 hours.After the reaction was completed, trifluoroacetic acid was removed by distillation under reduced pressure,The raffinate was poured into a beaker of ice cubes, extracted with methylene chloride,Washed with water, dried over Na2SO4, separated by column chromatography,Petroleum ether: ethyl acetate = 5: 1 gave TB-ACID as a brown solid in 86% yield.

Reference： [1]Patent: CN106749297,2017,A .Location in patent: Paragraph 0020

65
[ 100-97-0 ]
[ 5434-21-9 ]
6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine-2,3,8,9-tetracarboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
88%	With hydrogenchloride; In water; at 0 - 60℃; for 240h;	0 oC,In a 250 mL dry three-necked flask were added 60 mmol of 4-<strong>[5434-21-9]APA</strong> and 180 mmol of hexamethylenetetramine,Stirring with a constant pressure funnel slowly dropping 120 mL of hydrochloric acid,The solution turns red, after the addition is completed,The reaction was continued at 60 oC for 240 hours.After the reaction was completed, hydrochloric acid was removed by distillation under reduced pressure,The raffinate was poured into a beaker of ice cubes, extracted with dichloromethane,Washed with water, dried over Na2SO4, separated by column chromatography,Petroleum ether: ethyl acetate = 7: 1 to give TB-ACID as a brown solidYield 88%.

Reference： [1]Patent: CN106749297,2017,A .Location in patent: Paragraph 0024; 0026

66
[ 110-71-4 ]
[ 5434-21-9 ]
6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine-2,3,8,9-tetracarboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
83%	With trifluoroacetic acid; at -5 - 0℃; for 56h;	-5 oC,In a 250 mL dry three-necked flask was added 60 mmol of 4-<strong>[5434-21-9]APA</strong> and 240 mmol of ethylene glycol dimethyl ether,Stirring with a constant pressure funnel slowly dropping 120 mL of trifluoroacetic acid, the solution becomes red,After the addition was completed, the reaction was continued at 5 oC for 56 hours.After the reaction was completed, trifluoroacetic acid was removed by distillation under reduced pressure,The raffinate was poured into a beaker fitted with ice cubes, extracted with petroleum ether,Washed with water, dried over anhydrous MgSO4, separated by column chromatography,Petroleum ether: ethyl acetate = 6: 1 gave TB-ACID as a brown solid in 83% yield.

Reference： [1]Patent: CN106749297,2017,A .Location in patent: Paragraph 0022

67
[ 108-77-0 ]
[ 5434-21-9 ]
C₁₈H₁₀N₂O₅ [ No CAS ]
C₃₇H₂₁N₇O₁₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
70%		General procedure: 9.9 parts of cyanuric chloride and 1000 parts of acetone were added and stirred while cooling in an ice bath.15.5 parts of Intermediate 1 was dissolved in 1,000 parts of N-methylpyrrolidone and added dropwise to a solution of cyanuric chloride over 1 hour.After stirring for 3 hours at a temperature between 5 C. and 15 C., 20.5 parts of sulfanilic acid was added and the mixture was heated to 85 C. and stirred for 5 hours.After cooling to room temperature, the reaction mixture was poured into 3000 parts of water and stirred at room temperature for 1 hour.The precipitated crystals were separated by filtration, further washed with water and methanol, and dried under reduced pressure to obtain 24.5 parts (yield 64%) of compound A-1. In the synthesis reaction of Compound A-1, 15.5 parts of Intermediate 1 was mixed with 14.4 parts of Intermediate 6, 8.0 parts of cyanuric chloride, 20.5 parts of sulfanilic acid to 17 parts of <strong>[5434-21-9]4-aminophthalic acid</strong> The reaction was carried out in the same manner except that 2 parts was changed to obtain 23.0 parts (yield: 70%) of the compound A-5.

Reference： [1]Patent: JP2017/197640,2017,A .Location in patent: Paragraph 0156; 0160

68
[ 108-77-0 ]
[ 109-86-4 ]
[ 5434-21-9 ]
C₁₈H₉Cl₂NO₃ [ No CAS ]
C₃₂H₂₁Cl₂N₅O₉ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
71%		General procedure: 10.6 parts of cyanuric chloride and 1000 parts of acetone were added and stirred while cooling in an ice bath.Thereto, 19.5 parts of Intermediate 2 was dissolved in 1000 parts of N-methylpyrrolidone and added dropwise to a solution of cyanuric chloride over 1 hour.After stirring for 3 hours at a temperature between 5 C. and 15 C., 10.0 parts of sulfanilic acid was added and the mixture was heated to 50 C. and stirred for 3 hours.Next, 6.5 parts of aniline was added, heated to 85 C. and stirred for 2 hours.After cooling to room temperature, the reaction mixture was poured into 3000 parts of water and stirred at room temperature for 1 hour.The precipitated crystals were separated by filtration, further washed with water and methanol, and dried under reduced pressure to obtain 26.3 parts (yield 67%) of compound A-2. In the synthesis reaction of compound A-2, 19.5 parts of Intermediate 2 was added to 16.4 parts of Intermediate 7, 9.9 parts of cyanuric chloride 10.9 parts, and 10.0 parts of sulfanilic acid to <strong>[5434-21-9]4-aminophthalic acid</strong> 9. 7 parts, and 6.5 parts of aniline were changed to 4.9 parts of 2-methoxyethanol, 26.2 parts (yield: 71%) of Compound A-6 was obtained.

Reference： [1]Patent: JP2017/197640,2017,A .Location in patent: Paragraph 0157; 0161

69
[ 5434-21-9 ]
[ 27550-59-0 ]

Yield	Reaction Conditions	Operation in experiment
84.6%	With sulfuric acid; sodium nitrite; In water; at 0 - 165℃; for 3h;	Add 100 ml of water to a 250 ml four-necked flask, 0.11 mol of 95% sulfuric acid, cool to 0-5 C in an ice bath, stir, and add 0.1 mol of <strong>[5434-21-9]4-aminophthalic acid</strong> dropwise;Further, 0.105 mol of sodium nitrite was dissolved in 50 ml of water, added dropwise to a four-necked bottle, and the reaction was continued for 1.5 hours.0.5 ml of 95% sulfuric acid was added to 30 ml of water in the flask, and the diazo liquid reacted for 1.5 hours was slowly added dropwise, and the dropping process was controlled at a temperature of about 165 C.The distilled distillate was extracted four times with 50 ml of dichloromethane, and concentrated under reduced pressure to give 4-hydroxyphthalic acid in a yield of 93.8%.4-Hydroxyphthalic acid was sublimed in a sublimation tube at 250 C to obtain 4-hydroxyphthalic anhydride, and the yield was 90.2%.The total yield of 4-hydroxyphthalic anhydride was 84.6%.

Reference： [1]Patent: CN108864009,2018,A .Location in patent: Paragraph 0019; 0020; 0023

70
[ 5434-21-9 ]
[ 551-09-7 ]
C₂₀H₁₈N₄O₄ [ No CAS ]

Reference： [1]RSC Advances,2019,vol. 9,p. 3994 - 4000

71
[ 31643-49-9 ]
[ 5434-21-9 ]

Yield	Reaction Conditions	Operation in experiment
87%	With hydrogenchloride; iron; In methanol; water; for 0.5h;	(1)Dissolve 4-nitrophthalonitrile (6.5g, 37.55mmol) in 115mL methanol solvent, and then add 33.3mL concentrated hydrochloric acid. After 4-nitrophthalonitrile is completely dissolved, add to the reaction solution. Iron powder (6.35g, 113.5mmol), continue the reaction for 30min. After the reaction is completed, cool to room temperature, pour the reaction solution into 300mL ice water, precipitate out, and filter with suction to obtain 4-aminophthalic acid (4.67) as a solid compound. g, 32.65 mmol), yield 87%;

Reference： [1]Patent: CN110437239,2019,A .Location in patent: Paragraph 0074-0076

72
[ 5434-21-9 ]
2-chloroimidazo[1,2-a]pyridine-3-carbonyl chloride [ No CAS ]
4-(2-chloroimidazo[1,2-a]pyridine-3-carboxamido)phthalic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75.6%	In N,N-dimethyl acetamide; at 20℃; for 10h;Cooling with ice;	Under ice-bath conditions, a DMA solution of 2-chloroimidazo[1,2-a]pyridine-3-carbonylchloride (0.21 g, 1.0 mmol) was dropwise added to a DMA solution of 4-aminophthalicacid (0.18 mg, 1.0 mmol), giving rise to a yellow solution. After stirring atroom temperature for 10 h, the resulting yellow solution was poured into 300 ml ofwater, leading to a white precipitate. After being filtrated, washed with water/ethanoland dried at 80 C, white 4-(2-chloroimidazo[1,2-a]pyridine-3-carboxamido)phthalicacid (H2L) was obtained (0.27 g, 75.6% yield). 1H NMR (dmso-d6, 400 MHz,Supplementary material, Figure S1) d 13.13 (s, 2H), 10.43 (s, 1H), 9.03 (d, J6.9 Hz,1H), 7.99 (d, J1.9 Hz, 1H), 7.90 (dd, J8.5, 2.0 Hz, 1H), 7.77 (dd, J13.6, 8.7 Hz, 2H),7.64-7.58 (m, 1H), 7.24 (t, J6.9 Hz, 1H). 13C NMR of H2L is also provided asSupplemental figure S2.

Reference： [1]Journal of Coordination Chemistry,2020

73
[ 82-34-8 ]
[ 5434-21-9 ]
C₂₂H₁₃NO₆ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
90%	With sodium acetate In nitrobenzene at 150℃; for 48h;	3 Preparation Example 3: Method for preparing the compound of Formula 4 The compound of Formula 4, which is a pigment synergist according to an embodiment of the present invention, may be prepared according to Scheme 3 below.1-nitroanthraquinone (14g, 55.29mmol), 4-aminophthalic acid (25g, 138.015mmol) and sodium acetate (6.79g, 82.93mmol) were added to nitrobenzene (400ml) and reacted at 150 for 48 hours. . While the temperature of the reaction mixture was slowly lowered to room temperature, ethanol was added and stirred overnight. Filter the crystallized material and rinse with water until neutral. (90% or more yield)

Reference： [1]Current Patent Assignee: KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY - KR102144939, 2020, B1 Location in patent: Paragraph 0095-0104

74
[ 5434-21-9 ]
[ 2351-37-3 ]
C₃₀H₂₀N₂O₁₀ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In ethyl acetate at 10℃; for 20h;	8 Add 3.623g (0.02mol) 4-aminophthalic acid to the reaction vessel,50g ethyl acetate, stir, add 2.7912g (0.01mol) in batches at 10°C4,4'-Biphthaloyl chloride, the reaction was carried out for 20 hours. Filter, filter out the solid powder,After drying, tetraacid is obtained. Add the obtained tetraacid to the content of 8.16g (0.08mol)In a solution of acetic anhydride and 75g of toluene, heat to 110°C to react for 10 hours, cool and filter,After drying, 5 g of bisamide dianhydride was obtained, which had the structure represented by formula (8), and the yield was 94%.

Reference： [1]Current Patent Assignee: CHINESE ACADEMY OF SCIENCES - CN112625017, 2021, A Location in patent: Paragraph 0155-0157

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P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 5434-21-9 ] {[proInfo.proName]}

Quality Control of [ 5434-21-9 ]

Related Doc. of [ 5434-21-9 ]

Product Details of [ 5434-21-9 ]

Calculated chemistry of [ 5434-21-9 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 5434-21-9 ]

Application In Synthesis of [ 5434-21-9 ]

[ 5434-21-9 ] Synthesis Path-Upstream 1~6

[ 5434-21-9 ] Synthesis Path-Downstream 1~74

Related Functional Groups of [ 5434-21-9 ]

Aryls

Amines

Carboxylic Acids

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 5434-21-9 ]