[ CAS No. 1585-40-6 ] {[proInfo.proName]}

Name: 1585-40-6|Benzenepentacarboxylic Acid|98%
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Quality Control of [ 1585-40-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 1585-40-6 ]

Product Details of [ 1585-40-6 ]

CAS No. :	1585-40-6	MDL No. :	MFCD00020281
Formula :	C₁₁H₆O₁₀	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	QNSOHXTZPUMONC-UHFFFAOYSA-N
M.W :	298.16	Pubchem ID :	15314
Synonyms :	Pentacarboxybenzene

Safety of [ 1585-40-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313	UN#:	N/A
Hazard Statements:	H315-H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 1585-40-6 ]

* 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.

Downstream synthetic route of [ 1585-40-6 ]

[ 1585-40-6 ] Synthesis Path-Downstream 1~50

1
[ 908094-01-9 ]
[ 1585-40-6 ]
[ 3327-06-8 ]

Yield	Reaction Conditions	Operation in experiment
	With diethyl ether

Reference： [1]Alder; Rickert [Chemische Berichte, 1937, vol. 70, p. 1354,1359] Guiteras; Nakamiya; Inhoffen [Justus Liebigs Annalen der Chemie, 1932, vol. 494, p. 116,122] Feist [Justus Liebigs Annalen der Chemie, 1932, vol. 496, p. 99,115]

2
[ 700-12-9 ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
69%	With cerium(III) chloride; 1,1,1-trichloroethanol; oxygen In acetonitrile at 60℃; Irradiation;
	With potassium permanganate; water
	With nitric acid at 180℃;

Reference： [1]Wang, Chang-Cheng; Zhang, Guo-Xiang; Zuo, Zhi-Wei; Zeng, Rong; Zhai, Dan-Dan; Liu, Feng; Shi, Zhang-Jie [Science China Chemistry, 2021, vol. 64, # 9, p. 1487 - 1492]
[2]Friedel; Crafts [Annales de Chimie (Cachan, France), 1884, vol. <6> 1, p. 482][Annales de Chimie (Cachan, France), 1887, vol. <6> 11, p. 266]
[3]Freudenberg,K. et al. [Chemische Berichte, 1962, vol. 95, p. 2814 - 2828]

3
[ 15517-57-4 ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium permanganate

Reference： [1]Read; Purves [Journal of the American Chemical Society, 1952, vol. 74, p. 116,117]

4
[ 514-10-3 ]
[ 1585-40-6 ]

Reference： [1]Ruzicka; Schinz; Meyer [Helvetica Chimica Acta, 1923, vol. 6, p. 1088]

5
[ 1585-40-6 ]
[ 517-60-2 ]
[ 89-05-4 ]

Reference： [1]Current Patent Assignee: DE DIRECTIE VAN DE STAATSMIJNEN IN LIMBURG - US2640075, 1953, A Current Patent Assignee: NIEDERLAENDISCHE STAAT; DE DIRECTIE VAN DE STAATSMIJNEN IN LIMBURG - DE857366, 1951, C [DRP/DRBP Org.Chem.][DRP/DRBP Org.Chem.] Current Patent Assignee: NIEDERLAENDISCHE STAAT; DE DIRECTIE VAN DE STAATSMIJNEN IN LIMBURG - US2576020, 1950, A

6
[ 1585-40-6 ]
[ 59025-58-0 ]

Yield	Reaction Conditions	Operation in experiment
	at 240 - 250℃; unter vermindertem Druck;

Reference： [1]Wolff [Justus Liebigs Annalen der Chemie, 1902, vol. 322, p. 389] Freund; Fleischer [Justus Liebigs Annalen der Chemie, 1918, vol. 414, p. 30][Justus Liebigs Annalen der Chemie, 1910, vol. 373, p. 308,310]

7
[ 872281-48-6 ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
	With nitric acid at 140 - 150℃; im Rohr;

Reference： [1]Freund; Fleischer [Justus Liebigs Annalen der Chemie, 1918, vol. 414, p. 30][Justus Liebigs Annalen der Chemie, 1910, vol. 373, p. 308,310]

8
8,8-diethyl-1,2,3,3a,4,5-hexahydro-cyclopenta[<i>e</i>]acenaphthylene-7,9-dione [ No CAS ]
[ 1585-40-6 ]
2,2-diethyl-1,3-dioxo-indan-4,5,6-tricarboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With nitric acid at 140℃; im Rohr;

Reference： [1]Fleischer; Siefert [Justus Liebigs Annalen der Chemie, 1921, vol. 422, p. 309][Chemische Berichte, 1920, vol. 53, p. 1261]

9
[ 68106-84-3 ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
	With nitric acid at 160 - 170℃; im Rohr;

Reference： [1]Mayer; Mueller [Chemische Berichte, 1927, vol. 60, p. 2281]

10
[ 872278-59-6 ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
	With nitric acid at 160 - 170℃; im Rohr;

Reference： [1]Mayer; Mueller [Chemische Berichte, 1927, vol. 60, p. 2281]

11
[ 871886-21-4 ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
	With nitric acid at 140 - 150℃; im Rohr;

Reference： [1]Freund; Fleischer [Justus Liebigs Annalen der Chemie, 1918, vol. 414, p. 30][Justus Liebigs Annalen der Chemie, 1910, vol. 373, p. 308,310]

12
[ 1585-40-6 ]
[ 85304-46-7 ]

Yield	Reaction Conditions	Operation in experiment
	With NaH₂PO₄-Na₂HPO₄ buffer In water for 1.38889E-05h; Irradiation; irradiation: 10 μA, 2.8 MeV electrons;

Reference： [1]Sangster, Rober N.; Madden, Keith P.; Schuler, Robert H. [Journal of Physical Chemistry, 1983, vol. 87, # 13, p. 2395 - 2398]

13
[ 1585-40-6 ]
[ 124-38-9 ]
[ 89-32-7 ]

Yield	Reaction Conditions	Operation in experiment
	at 270 - 300℃;

Reference： [1]Wolff [Justus Liebigs Annalen der Chemie, 1902, vol. 322, p. 389]

Yield	Reaction Conditions	Operation in experiment
	With nitric acid at 130 - 140℃;

Yield	Reaction Conditions	Operation in experiment
	With potassium hydroxide Oxydation des Produktes mit konz. KMnO₄-Loesung;

Yield	Reaction Conditions	Operation in experiment
	With potassium permanganate; alkaline solution

Yield	Reaction Conditions	Operation in experiment
	With manganese(IV) oxide; sulfuric acid

19
[ 872281-48-6 ]
[ 7697-37-2 ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
	at 150℃; im Rohr;

Reference： [1]Freund; Fleischer [Justus Liebigs Annalen der Chemie, 1918, vol. 414, p. 30][Justus Liebigs Annalen der Chemie, 1910, vol. 373, p. 308,310]

20
[ 68106-84-3 ]
[ 7697-37-2 ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
	at 160 - 170℃; im Rohr;

Reference： [1]Mayer; Mueller [Chemische Berichte, 1927, vol. 60, p. 2281]

21
[ 872278-59-6 ]
[ 7697-37-2 ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
	at 160 - 170℃;

Reference： [1]Mayer; Mueller [Chemische Berichte, 1927, vol. 60, p. 2281]

22
[ 194784-00-4 ]
[ 7697-37-2 ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
	at 200℃;

Reference： [1]Campbell; Soffer; Steadman [Journal of the American Chemical Society, 1942, vol. 64, p. 425,427]

23
[ 691364-62-2 ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
	at 190 - 200℃;

Reference： [1]Campbell; Soffer; Steadman [Journal of the American Chemical Society, 1942, vol. 64, p. 425,427]

24
5-methyl-1,2,3,4,4a,7,8,9,10,11,12,12a-dodecahydro-chrysene [ No CAS ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
	at 195 - 200℃;

Reference： [1]Fieser; Joshel [Journal of the American Chemical Society, 1940, vol. 62, p. 1211,1213]

25
[ 1758-88-9 ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: aluminium chloride; carbon disulfide 2: nitric acid / 140 - 150 °C / im Rohr

Reference： [1]Freund; Fleischer [Justus Liebigs Annalen der Chemie, 1918, vol. 414, p. 30][Justus Liebigs Annalen der Chemie, 1910, vol. 373, p. 308,310]

26
[ 2142-73-6 ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: amalgamated zinc; hydrochloric acid 2: aluminium chloride; carbon disulfide 3: nitric acid / 140 - 150 °C / im Rohr

Reference： [1]Freund; Fleischer [Justus Liebigs Annalen der Chemie, 1918, vol. 414, p. 30][Justus Liebigs Annalen der Chemie, 1910, vol. 373, p. 308,310]

27
[ 68106-83-2 ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: concentrated sulfuric acid 2: diluted nitric acid / 160 - 170 °C / im Rohr

Reference： [1]Mayer; Mueller [Chemische Berichte, 1927, vol. 60, p. 2281]

28
3-chloro-1-(4-methyl-[1]naphthyl)-butan-1-one [ No CAS ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: concentrated sulfuric acid 2: diluted nitric acid / 160 - 170 °C / im Rohr

Reference： [1]Mayer; Mueller [Chemische Berichte, 1927, vol. 60, p. 2281]

29
[ 90-12-0 ]
[ 1585-40-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: aluminium chloride; carbon disulfide 2: diluted nitric acid / 160 - 170 °C / im Rohr
	Multi-step reaction with 3 steps 1: aluminium chloride; carbon disulfide 2: concentrated sulfuric acid 3: diluted nitric acid / 160 - 170 °C / im Rohr
	Multi-step reaction with 3 steps 1: aluminium chloride; carbon disulfide 2: concentrated sulfuric acid 3: diluted nitric acid / 160 - 170 °C / im Rohr

Reference： [1]Mayer; Mueller [Chemische Berichte, 1927, vol. 60, p. 2281]
[2]Mayer; Mueller [Chemische Berichte, 1927, vol. 60, p. 2281]
[3]Mayer; Mueller [Chemische Berichte, 1927, vol. 60, p. 2281]

30
{Co(NH₃)5(H₂O)}⁽³⁺⁾*3OH^(1-)={Co(NH₃)5(H₂O)}(OH)3 [ No CAS ]
[ 1585-40-6 ]
2Na⁽¹⁺⁾*Co⁽³⁺⁾*5NH₃*C₆H(CO₂)5^(5-)=Na₂{Co(NH₃)5(C₆H(CO₂)5)} [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	reaction of {Co(NH3)5(H2O)}(OH)3 with an alkali-salt of benzene pentacarbonate;;
	reaction of {Co(NH3)5(H2O)}(OH)3 with an alkali-salt of benzene pentacarbonate;;

Reference： [1]Duval, C. [Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1929, vol. 189, p. 537 - 537]
[2][Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Co: MVol.B, 86, page 204 - 206]

31
[ 1585-40-6 ]
[ 7732-18-5 ]
[ 1310-73-2 ]
[ 7646-85-7 ]
[Zn₃(benzenepentacarboxylato)(OH)(H₂O)3] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
30%	In water High Pressure; mixt. of Zn salt, benzenepentacarboxylic acid, and NaOH in H2O (final pHca. 4.0) heated at 125°C in autoclave for 2 d; crystals filtered off, dried on air;

Reference： [1]Wang, Xin-Yi; Sevov, Slavi C. [Inorganic Chemistry, 2008, vol. 47, # 3, p. 1037 - 1043]

32
[ 366-18-7 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 1585-40-6 ]
[ 1310-73-2 ]
[Zn5(μ3-OH)2(1,2,3,4,5-benzenepentacarboxylic acid(-4H))2(2,2'-bipyridyl)2] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75%	In water High Pressure; under hydrothermal conditions; mixt. of Zn salt, ligand, 2,2'-bipyridine, NaOH and H2O (molar ratio 4:1:2:4:300) stirred; heated in stainless steel reactor at 175°C for 60 h; cooled (5°C/h); filtered; crystals washed with H2O; air dried; elem. anal.;

Reference： [1]Wang, Jing; Lin, Zhuojia; Ou, Yong-Cong; Yang, Nai-Liang; Zhang, Yue-Hua; Tong, Ming-Liang [Inorganic Chemistry, 2008, vol. 47, # 1, p. 190 - 199]

33
[ 66-71-7 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 1585-40-6 ]
[ 1310-73-2 ]
[Zn₅(1,2,3,4,5-benzenepentacarboxylate)2(1,10-phenanthroline)4(H₂O)3]*2H₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
40%	In water High Pressure; under hydrothermal conditions; mixt. of Zn salt, ligand, phenanthroline,NaOH (molar ratio 4:1:2:8) stirred; heated in stainless steel reactor a t 140°C for 120 h; cooled (5°C/h); crystals mechanically sepd.; washed with H2O and abs. EtOH; air dried; elem. anal.;

Reference： [1]Wang, Jing; Lin, Zhuojia; Ou, Yong-Cong; Yang, Nai-Liang; Zhang, Yue-Hua; Tong, Ming-Liang [Inorganic Chemistry, 2008, vol. 47, # 1, p. 190 - 199]

34
[ 66-71-7 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 1585-40-6 ]
[ 1310-73-2 ]
[Zn₂(1,2,3,4,5-benzenepentacarboxylic acid(-4H))(1,10-phenanthroline)2(H₂O)2] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
60%	In water High Pressure; under hydrothermal conditions; mixt. of Zn salt, ligand, phenanthroline,NaOH (molar ratio 4:1:2:4) stirred; heated in stainless steel reactor a t 140°C for 60 h; cooled (5°C/h); crystals mechanically sepd.; washed with H2O and abs. EtOH; air dried; elem. anal.;

Reference： [1]Wang, Jing; Lin, Zhuojia; Ou, Yong-Cong; Yang, Nai-Liang; Zhang, Yue-Hua; Tong, Ming-Liang [Inorganic Chemistry, 2008, vol. 47, # 1, p. 190 - 199]

35
zinc(II) nitrate hexahydrate [ No CAS ]
[ 1585-40-6 ]
[ 1310-73-2 ]
[Zn6(μ3-OH)2(1,2,3,4,5-benzenepentacarboxylate)2(H2O)6] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
40%	In water High Pressure; under hydrothermal conditions; mixt. of NaOH in H2O and ligand in H2O added to aq. soln. of Zn salt (molar ratio 8:1:4); stirred; heated in stainless steel reactor at 175°C for 90 h; cooled (5°C/h); filtered; crystals washed with H2O; air dried; elem. anal.;

Reference： [1]Wang, Jing; Lin, Zhuojia; Ou, Yong-Cong; Yang, Nai-Liang; Zhang, Yue-Hua; Tong, Ming-Liang [Inorganic Chemistry, 2008, vol. 47, # 1, p. 190 - 199]

36
cobalt(II) chloride hexahydrate [ No CAS ]
[ 1585-40-6 ]
[ 1310-73-2 ]
[Co₃(benzenepentacarboxylato)(OH)(H₂O)3] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
70%	In water High Pressure; mixt. of Co salt (0.25 mmol), benzenepentacarboxylic acid (0.10 mmol), and NaOH (0.5 mmol) in H2O (final pH ca. 5.0) heated at 195°C in autoclave for 3 d; crystals filtered off, washed with H2O, dried on air;

Reference： [1]Wang, Xin-Yi; Sevov, Slavi C. [Inorganic Chemistry, 2008, vol. 47, # 3, p. 1037 - 1043]

37
cobalt(II) chloride hexahydrate [ No CAS ]
[ 1585-40-6 ]
[Co₅(benzenepentacarboxylato)2(H₂O)12]*(H₂O)12 [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
15%	With NaOH In water High Pressure; mixt. of Co salt (0.75 mmol), benzenepentacarboxylic acid (0.15 mmol), and NaOH (0.7 mmol) in H2O (final pH ca. 4.0) heated at 135°C in autoclave for 3 d; crystals manually sepd. from powder, washed with H2O;

Reference： [1]Wang, Xin-Yi; Sevov, Slavi C. [Inorganic Chemistry, 2008, vol. 47, # 3, p. 1037 - 1043]

38
[ 1585-40-6 ]
benzenepentacarboxylic pentaacid chloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With phosphorus pentachloride at 150℃; for 24h;

Reference： [1]Location in patent: experimental part Yang, Chih-Chiang; Hsu, Chia-Jung; Chou, Pi-Tai; Cheng, Hsu Chun; Su, Yuhlong Oliver; Leung, Man-Kit [Journal of Physical Chemistry B, 2010, vol. 114, # 2, p. 756 - 768]

39
[ 553-26-4 ]
[ 1585-40-6 ]
2C₁₀H₈N₂*C₁₁H₆O₁₀ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
66%	In water at 139.84℃; for 96h; High pressure; Autoclave;	Molecular complex [(BPC)(bpy)₂], 1b: BPC (74.5mg, 0.25mmol) and bpy (39.0mg, 0.25mmol) and water (15mL) were placed in a Teflon-lined stainless steel vessel under autogeneous pressure and heated up to 413K for 4days and subsequently cooled to room temperature. Colorless crystalline product was collected and used for X-ray diffraction analysis. Crystal were isolated by filtration and allowed to dry in air to give 40mg (yield is 66%, based on the formula weight of 1b). (0016) Under hydrothermal condition, supramolecular reactions between BPC and bpy were carried out in 1:1, 1:2 and 2:1 ratio at 413K for 4days. The reaction mixtures were cooled and subsequent slow evaporation at room temperature yields a 2:1 complex irrespective of the ratio of the components used (which is been confirmed by the unit cell collection of many crystals from the reaction mixture using Single crystal XRD).

Reference： [1]Nagarajan; Shimpi, Manishkumar R.; Pedireddi [Journal of Molecular Structure, 2013, vol. 1050, p. 216 - 221]

40
[ 553-26-4 ]
[ 1585-40-6 ]
C₁₀H₈N₂*2C₁₁H₆O₁₀ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
57%	In water at 26.84℃; for 96h;	Molecular complex, [(BPC)₂(bpy)(H₂O)₇], 1a: BPC (74.5mg, 0.25mmol) and 4,4′-bipyridine, bpy (39.0mg, 0.25mmol) were dissolved in water (15mL) with stirring. Upon slow evaporation of the solvent, colorless blocks of single crystals suitable for X-ray diffraction analysis were obtained in 4days. Crystal were isolated by filtration and allowed to dry in air to give 50mg (yield is 57%, based on the formula weight of 1a.). Different ratio of components of BPC and bpy such as 2:1, 3:1, 4:1, 5:1 and 1:2 were co-crystallized from water at room temperature through slow evaporation process. Colorless crystals were obtained after complete evaporation of the solvent. Different morphological crystals were isolated by hand picking and many of them are subjected to unit cell collection in single crystal XRD.

Reference： [1]Nagarajan; Shimpi, Manishkumar R.; Pedireddi [Journal of Molecular Structure, 2013, vol. 1050, p. 216 - 221]

41
[ 553-26-4 ]
[ 1585-40-6 ]
C₁₀H₈N₂*C₁₁H₆O₁₀ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
20%	With nickel(II) nitrate hexahydrate In water at 139.84℃; for 72h; High pressure; Autoclave;	Molecular complex [(BPC)(bpy)(H₂O)₂], 1c: BPC (74.5mg, 0.25mmol) and bpy (39.0mg, 0.25mmol), Ni(NO3)2.6H2O (29.1mg, 0.1mmol) and water (15mL) was placed in a Teflon-lined stainless steel vessel under autogeneous pressure, which is heated to 413K for 72h and subsequently cooled to room temperature. Colorless crystalline product was collected used for X-ray diffraction analysis. Crystal were isolated by filtration and allowed to dry in air to give 10mg (yield is 20%, based on the formula weight of 1c). (0018) Supramolecular synthesis has been carried out under hydrothermal condition using BPC (74.5mg, 0.25mmol) and bpy (39.0mg, 0.25mmol) along with Mn(II)/Zn(II) (0.1mmol /0.1mmol) at 413K for 3days. The reaction mixture is cooled to room temperature and allowed to evaporate slowly. The solid obtained after complete evaporation of the solvent is characterized through single crystal X-ray diffraction technique.

Reference： [1]Nagarajan; Shimpi, Manishkumar R.; Pedireddi [Journal of Molecular Structure, 2013, vol. 1050, p. 216 - 221]

42
[ 1585-40-6 ]
[ 36752-26-8 ]

Yield	Reaction Conditions	Operation in experiment
	With dihydrogen peroxide; sodium hydroxide for 1h; Alkaline conditions;

Reference： [1]Si, Fang; Zhang, Xuan; Yan, Kelu [RSC Advances, 2014, vol. 4, # 12, p. 5860 - 5866]

43
[ 230-07-9 ]
[ 1585-40-6 ]
C₁₁H₆O₁₀*C₁₂H₈N₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In dimethyl sulfoxide;	General procedure: All chemicals used in this study were obtained from commercial suppliers (Sigma-Aldrich) and were used without any further purification. The spectroscopic grade solvents employed for the crystallization purpose were of the highest available purity. All the molecular complexes were prepared by dissolving <strong>[230-07-9]4,7-phenanthroline</strong> (1) and the corresponding carboxylic acids in a solution of dimethylsulfoxide (DMSO), as listed in Chart 1, in a 1:1 ratio and then by slow evaporation of the solution at ambient conditions. Single crystals were obtained within 48h in all the cases. In a typical example, 18.3mg (0.97mmol) of 1 and 16.6mg (0.99mmol) of pyridine-2,6-dicarboxylic acid, a, were dissolved by heating up to 80C in 2mL DMSO and allowed for slow evaporation at ambient conditions. Good quality single crystals suitable for X-ray diffraction study were obtained in 48h.

Reference： [1]Journal of Molecular Structure,2016,vol. 1122,p. 1 - 9

44
[ 4916-57-8 ]
cadmium(II) acetate monohydrate [ No CAS ]
[ 1585-40-6 ]
0.5C₂O₄^(2-)*3H₂O*C₁₁HO₁₀^(5-)*2Cd⁽²⁺⁾*1.5C₁₂H₁₂N₂*2H⁽¹⁺⁾ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In water at 140℃; for 96h; Autoclave; High pressure;	2.2. Preparation of the complexes General procedure: The complexes were prepared by hydrothermal method by carrying out reactions in a 50 mL Teflon-lined autoclave at a neutral pH. In a typical example, complex 1a was prepared by placing a mixture of Co(NO3)2·6H2O (29.1 mg, 0.1 mmol), BPCH5 (29.8 mg, 0.1 mmol) and bpy (15.6 mg, 0.1 mmol) that was kept in a Teflon flask with about 15 mL of water in an autoclave and heated at 140 °C for 4 days. The resultant neutral solution was allowed for slow evaporation over a period of 10 day at ambient conditions. The obtained crystalline compound was collected by filtration, washed with water and dried in air. The washed compounds contained diffraction quality block shaped single crystals.

Reference： [1]Shimpi, Manishkumar R.; Biswas, Sharmita Nandy; Sarkar, Sohini; Pedireddi [Journal of Molecular Structure, 2016, vol. 1114, p. 38 - 47]

45
[ 553-26-4 ]
copper(II) nitrate trihydrate [ No CAS ]
[ 1585-40-6 ]
C₁₁HO₁₀^(5-)*2Cu⁽²⁺⁾*C₁₀H₈N₂*4H₂O*H⁽¹⁺⁾ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In water at 140℃; for 96h; Autoclave; High pressure;	2.2. Preparation of the complexes General procedure: The complexes were prepared by hydrothermal method by carrying out reactions in a 50 mL Teflon-lined autoclave at a neutral pH. In a typical example, complex 1a was prepared by placing a mixture of Co(NO3)2·6H2O (29.1 mg, 0.1 mmol), BPCH5 (29.8 mg, 0.1 mmol) and bpy (15.6 mg, 0.1 mmol) that was kept in a Teflon flask with about 15 mL of water in an autoclave and heated at 140 °C for 4 days. The resultant neutral solution was allowed for slow evaporation over a period of 10 day at ambient conditions. The obtained crystalline compound was collected by filtration, washed with water and dried in air. The washed compounds contained diffraction quality block shaped single crystals.

Reference： [1]Shimpi, Manishkumar R.; Biswas, Sharmita Nandy; Sarkar, Sohini; Pedireddi [Journal of Molecular Structure, 2016, vol. 1114, p. 38 - 47]

46
[ 4916-57-8 ]
copper(II) nitrate trihydrate [ No CAS ]
[ 1585-40-6 ]
Cu⁽²⁺⁾*C₁₁HO₁₀^(5-)*C₁₂H₁₂N₂*2H₂O*3H⁽¹⁺⁾ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In water at 140℃; for 96h; Autoclave; High pressure;	2.2. Preparation of the complexes General procedure: The complexes were prepared by hydrothermal method by carrying out reactions in a 50 mL Teflon-lined autoclave at a neutral pH. In a typical example, complex 1a was prepared by placing a mixture of Co(NO3)2·6H2O (29.1 mg, 0.1 mmol), BPCH5 (29.8 mg, 0.1 mmol) and bpy (15.6 mg, 0.1 mmol) that was kept in a Teflon flask with about 15 mL of water in an autoclave and heated at 140 °C for 4 days. The resultant neutral solution was allowed for slow evaporation over a period of 10 day at ambient conditions. The obtained crystalline compound was collected by filtration, washed with water and dried in air. The washed compounds contained diffraction quality block shaped single crystals.

Reference： [1]Shimpi, Manishkumar R.; Biswas, Sharmita Nandy; Sarkar, Sohini; Pedireddi [Journal of Molecular Structure, 2016, vol. 1114, p. 38 - 47]

47
[ 553-26-4 ]
cobalt(II) nitrate hexahydrate [ No CAS ]
[ 1585-40-6 ]
C₁₁HO₁₀^(5-)*1.5C₁₀H₈N₂*Co⁽²⁺⁾*6H₂O*3H⁽¹⁺⁾ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In water at 140℃; for 96h; Autoclave; High pressure;	2.2. Preparation of the complexes The complexes were prepared by hydrothermal method by carrying out reactions in a 50 mL Teflon-lined autoclave at a neutral pH. In a typical example, complex 1a was prepared by placing a mixture of Co(NO3)2·6H2O (29.1 mg, 0.1 mmol), BPCH5 (29.8 mg, 0.1 mmol) and bpy (15.6 mg, 0.1 mmol) that was kept in a Teflon flask with about 15 mL of water in an autoclave and heated at 140 °C for 4 days. The resultant neutral solution was allowed for slow evaporation over a period of 10 day at ambient conditions. The obtained crystalline compound was collected by filtration, washed with water and dried in air. The washed compounds contained diffraction quality block shaped single crystals.

Reference： [1]Shimpi, Manishkumar R.; Biswas, Sharmita Nandy; Sarkar, Sohini; Pedireddi [Journal of Molecular Structure, 2016, vol. 1114, p. 38 - 47]

48
[ 1585-40-6 ]
[ 108-46-3 ]
C₃₅H₁₈O₁₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.88 g	Stage #1: benzenepentacarboxylic acid In tetrahydrofuran at 140℃; for 24h; Irradiation; Stage #2: recorcinol With methanesulfonic acid In tetrahydrofuran at 90℃; for 48h;	4.A Benzene pentacarboxylic acid (894 mg) was suspended in tetrahydrofuran, the powder was pulverized by ultrasonic waves, and the solvent was distilled off under reduced pressure. The resulting powder was heated at 140 ° C. for 24 hours. After returning to room temperature under reduced pressure, resorcinol (1.32 g) and methanesulfonic acid (10 mL) were added and the mixture was stirred at 90 ° C. for 2 days. After returning the reaction solution to room temperature, it was gradually added to ice-cooled water (100 mL) with stirring. The precipitated solid was collected by filtration, washed with water and lyophilized to obtain a deep red powder (1.88 g). This was refluxed with acetic anhydride (14 mL) for 1 day. After distilling off the solvent of the reaction solution under reduced pressure, it was purified three times by silica gel column chromatography (first and second times; dichloromethane / methanol = 95/5 → 93/7 → 90/10, third time; ethyl acetate / Methanol = 100/0 -> 95/5 -> 90/10) to obtain the target compound 2 'as a pale yellow powder (1.6 g, yield 67%).

Reference： [1]Current Patent Assignee: NAGASAKI UNIVERSITY - JP2016/193897, 2016, A Location in patent: Paragraph 0064; 0065

49
[ 1585-40-6 ]
1,2,3,5,6-benzenepentacarboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With ammonia derivative at 290℃; for 0.5h;	amide intermediate preparation examples General procedure: In 1L reactor was added 500g of carboxylic acid raw material (chemically pure), And charged with 1.3 moles of ammonia (water content: 0.5% by weight, industrial product) having a mole number of the carboxyl group contained in the carboxylic acid raw material, Or ammonium hydrogen carbonate powder (chemically pure) having a mole number of ammonium ions of 1.4 times the carboxyl group contained in the carboxylic acid starting material, The reaction kettle was closed and the stirrer was turned on (600r / min). After the reaction was allowed to proceed at a reaction temperature of TA for TC hours, The contents of the reactor were sampled and subjected to 1H NMR and elemental analysis to characterize the amide intermediate. The specific reaction conditions and characterization results are shown in Table A-1, Table A-2, Table A-3 and Table A-4 below. These characterization results indicate that the amide intermediate obtained has an extremely high purity (99% or more).
	With ammonium for 0.5h; Heating;	Amide Intermediate Preparation Example General procedure: In a 1L reactor, 500 g of a carboxylic acid feed (chemically pure) and NH3 moles were added to the carboxyl groups of the carboxylic acid starting material.1.4 times of ammonia (NH3 content is 25wt%, industrial product) or the number of moles of ammonium ion is 1.6 of the carboxyl group contained in the carboxylic acid raw material.The aqueous solution of ammonium hydrogencarbonate (having a concentration of ammonium bicarbonate of 30 wt%) was sealed and the reaction vessel was closed and the stirring was turned on (600 r/min). Make the reactionAfter TC hours at the reaction temperature Τα, the contents of the reactor were sampled for nuclear magnetic resonance and elemental analysis to characterize the acyl group.Amine intermediates. Specific reaction conditions and characterization results are shown in Table A-1, Table A-2, Table A-3 and Table A-4 below. These characterization resultsIt shows that the obtained amide intermediate has a very high purity (above 99%).
	With ammonia at 295℃; for 0.5h;	Amide Intermediate Preparation Example General procedure: 500 g of carboxylic acid raw material (chemically pure) was added to a 1 L open reactor and stirring was turned on (600 r/min).Ammonia gas was continuously introduced into the carboxylic acid feed from the bottom of the reactor (chemical purity, water content 5.1 wt%, flow rate 100 g/min). After the reaction was allowed to proceed for TC hours at the reaction temperature TA, ammonia gas flow was stopped. The contents of the reactor were sampled and nuclear magnetic proton spectra and elemental analysis were performed to characterize the amide intermediate. Specific reaction conditions and characterization results are shown in Table A-1, Table A-2, Table A-3 and Table A-4 below. These characterization results show that the amide intermediates obtained have a very high purity (above 99%).

Reference： [1]Current Patent Assignee: CHINA PETROCHEMICAL CORPORATION - CN105016939, 2017, B Location in patent: Paragraph 0123-0126
[2]Current Patent Assignee: CHINA PETROCHEMICAL CORPORATION - CN105001032, 2018, B Location in patent: Paragraph 0125; 0126; 0127; 0128
[3]Current Patent Assignee: CHINA PETROCHEMICAL CORPORATION - CN105016940, 2018, B Location in patent: Paragraph 0122; 0123; 0125

50
[ 1585-40-6 ]
[ 38700-21-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: ammonia derivative / 0.5 h / 290 °C 2: 1 h / 345 °C
	Multi-step reaction with 2 steps 1: ammonium / 0.5 h / Heating 2: phosphorus pentoxide / 1 h / 15 - 37.5 Torr / Heating
	Multi-step reaction with 2 steps 1: ammonia / 0.5 h / 295 °C 2: phosphorus pentoxide / 1 h / 345 °C / 15 - 37.5 Torr

Reference： [1]Current Patent Assignee: CHINA PETROCHEMICAL CORPORATION - CN105016939, 2017, B
[2]Current Patent Assignee: CHINA PETROCHEMICAL CORPORATION - CN105001032, 2018, B
[3]Current Patent Assignee: CHINA PETROCHEMICAL CORPORATION - CN105016940, 2018, B

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P321
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P378
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P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
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P337 + P313	IF eye irritation persists: Get medical advice/attention.
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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
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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
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H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
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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

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[ 1585-40-6 ] Synthesis Path-Downstream 1~50

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