[ CAS No. 1583-67-1 ] {[proInfo.proName]}

Name: 1583-67-1|3-Fluorophthalic acid|97%
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Quality Control of [ 1583-67-1 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 1583-67-1 ]

Product Details of [ 1583-67-1 ]

CAS No. :	1583-67-1	MDL No. :	MFCD00039524
Formula :	C₈H₅FO₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BBCQSMSCEJBIRD-UHFFFAOYSA-N
M.W :	184.12	Pubchem ID :	345381
Synonyms :

Calculated chemistry of [ 1583-67-1 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	5.0
Num. H-bond donors :	2.0
Molar Refractivity :	40.32
TPSA :	74.6 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) :	-6.7 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.52
Log Po/w (XLOGP3) :	1.02
Log Po/w (WLOGP) :	1.64
Log Po/w (MLOGP) :	1.62
Log Po/w (SILICOS-IT) :	1.05
Consensus Log Po/w :	1.17

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.83
Solubility :	2.7 mg/ml ; 0.0147 mol/l
Class :	Very soluble
Log S (Ali) :	-2.18
Solubility :	1.23 mg/ml ; 0.00666 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.43
Solubility :	6.92 mg/ml ; 0.0376 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.4

Safety of [ 1583-67-1 ]

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 [ 1583-67-1 ]

* 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 [ 1583-67-1 ]
Downstream synthetic route of [ 1583-67-1 ]

[ 1583-67-1 ] Synthesis Path-Upstream 1~5

1
[ 1583-67-1 ]
[ 652-39-1 ]

Reference： [1] Organic Letters, 2010, vol. 12, # 21, p. 4796 - 4799
[2] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 5, p. 1388 - 1391
[3] Journal of the American Chemical Society, 1990, vol. 112, # 7, p. 2577 - 2581
[4] Patent: WO2018/189554, 2018, A1, . Location in patent: Page/Page column 17
[5] Tetrahedron, 1998, vol. 54, # 26, p. 7485 - 7496
[6] Canadian Journal of Chemistry, 1980, vol. 58, p. 2484 - 2490
[7] Journal of Organic Chemistry, 1987, vol. 52, # 1, p. 129 - 134
[8] Patent: US5665673, 1997, A,
[9] Patent: US6156704, 2000, A,
[10] Patent: US5665674, 1997, A,
[11] Patent: WO2015/160845, 2015, A2, . Location in patent: Page/Page column 108

2
[ 443-82-3 ]
[ 1583-67-1 ]

Reference： [1] Tetrahedron, 1998, vol. 54, # 26, p. 7485 - 7496
[2] Journal of Organic Chemistry, 1961, vol. 26, p. 3208 - 3211
[3] Journal of Organic Chemistry, 1987, vol. 52, # 1, p. 129 - 134

3
[ 321-38-0 ]
[ 1583-67-1 ]

Reference： [1] Canadian Journal of Chemistry, 1980, vol. 58, p. 2484 - 2490

4
[ 652-39-1 ]
[ 2211-82-7 ]
[ 2211-81-6 ]
[ 1583-67-1 ]

Reference： [1] Canadian Journal of Chemistry, 1980, vol. 58, p. 2484 - 2490
[2] Canadian Journal of Chemistry, 1980, vol. 58, p. 2484 - 2490

5
[ 87-59-2 ]
[ 1583-67-1 ]

Reference： [1] Journal of Organic Chemistry, 1961, vol. 26, p. 3208 - 3211

[ 1583-67-1 ] Synthesis Path-Downstream 1~88

1
[ 652-39-1 ]
[ 2211-82-7 ]
[ 2211-81-6 ]
[ 1583-67-1 ]

Reference： [1]Canadian Journal of Chemistry,1980,vol. 58,p. 2484 - 2490
[2]Canadian Journal of Chemistry,1980,vol. 58,p. 2484 - 2490

2
[ 321-38-0 ]
[ 1583-67-1 ]

Reference： [1]Canadian Journal of Chemistry,1980,vol. 58,p. 2484 - 2490

3
[ 443-82-3 ]
[ 1583-67-1 ]

Reference： [1]Tetrahedron,1998,vol. 54,p. 7485 - 7496
[2]Journal of Organic Chemistry,1961,vol. 26,p. 3208 - 3211
[3]Journal of Organic Chemistry,1987,vol. 52,p. 129 - 134

4
[ 1583-67-1 ]
[ 593-51-1 ]
[ 61864-48-0 ]

Reference： [1]Journal of Organic Chemistry,1989,vol. 54,p. 5101 - 5104

5
[ 1583-67-1 ]
[ 652-39-1 ]

Yield	Reaction Conditions	Operation in experiment
56.5%	With acetic anhydride; at 140℃; for 2h;Inert atmosphere;	To a stirred solution of <strong>[1583-67-1]3-<strong>[1583-67-1]fluorophthalic acid</strong></strong> (10.0 g, 54.3 mmol, 1.0 equiv) in acetic anhydride (40 mL, 4.0 vol. equiv), stirred the resulting mixture for 2 h at 140. Completion of reaction was monitored by TLC. The volatiles were removed by vacuum, and the residues were crystallized in acetic anhydride to afford titled compound (5.10 g, 56.5%) as an off white solid. 1H MR (300 MHz, OMSO-d6) delta 8.07-8.01 (m, 1H), 7.94-7.88 (t, 1H), 7.85-7.82 (d, 1H), 7.59- 7.54 (m, 1H). MS (ES+): 167.10 (M+l); MS (ES-): - (M-l).
	With acetic anhydride;	a) Preparation of 3-Fluorophthalic Anhydride 15 g of <strong>[1583-67-1]3-<strong>[1583-67-1]fluorophthalic acid</strong></strong> are mixed with 16.6 g of acetic anhydride and refluxed for 3 hrs. After removal of unreacted acetic anhydride the remaining white solid is recrystallized from toluene.
	With acetic anhydride;	a) Preparation of 3-fluorophthalic anhydride 15 g of <strong>[1583-67-1]3-<strong>[1583-67-1]fluorophthalic acid</strong></strong> are mixed with 16.6 g of acetic anhydride and refluxed for 3 hrs. After removal of unreacted acetic anhydride the remaining white solid is recrystallized from toluene.

	With acetic anhydride; for 2h;Reflux;	Step 1: 4-fluoroisobenzofuran-1,3-dione A mixture of <strong>[1583-67-1]3-<strong>[1583-67-1]fluorophthalic acid</strong></strong> (50 g, 271.7 mmol) in acetic anhydride (400 mL) was refluxed for 2 h. The volatiles were removed by vacuum, and the residues were crystallized in acetic anhydride to afford 4-fluoroisobenzofuran-1,3-dione (40 g, crude) as a brown solid. LC-MS: 167.1 [MH]+. 1H NMR (400 MHz, CDCl3): 7.58 (t, J = 8.0 Hz, 1H), 7.86 (d, J = 7.2 Hz, 1H), 7.92-7.97 (m, 1H).
	With acetic anhydride; for 2h;Reflux;	A mixture of <strong>[1583-67-1]3-<strong>[1583-67-1]fluorophthalic acid</strong></strong> (50 g, 271.7 mmol) in acetic anhydride (400 mL) was refluxed for 2 h. The volatiles were removed by vacuum, and the residues were crystallized in acetic anhydride to afford 4-fluoroisobenzofuran-1,3-dione (40 g, crude) as a brown solid. LC-MS: 167.1 [MH]+.1H NMR (400 MHz, CDCl3): delta 7.58 (t, J = 8.0 Hz, 1H), 7.86 (d, J = 7.2 Hz, 1H), 7.92-7.97 (m, 1H).

Reference： [1]Organic Letters,2010,vol. 12,p. 4796 - 4799
[2]Molecules,2020,vol. 25
[3]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 1388 - 1391
[4]Journal of the American Chemical Society,1990,vol. 112,p. 2577 - 2581
[5]Patent: WO2018/189554,2018,A1 .Location in patent: Page/Page column 17
[6]Tetrahedron,1998,vol. 54,p. 7485 - 7496
[7]Patent: WO2018/200981,2018,A1 .Location in patent: Paragraph 0209; 0246
[8]Canadian Journal of Chemistry,1980,vol. 58,p. 2484 - 2490
[9]Journal of Organic Chemistry,1987,vol. 52,p. 129 - 134
[10]Patent: US5665673,1997,A
[11]Patent: US6156704,2000,A
[12]Patent: WO2015/160845,2015,A2 .Location in patent: Page/Page column 108
[13]Patent: WO2019/148055,2019,A1 .Location in patent: Page/Page column 158; 161; 162

6
[ 1583-67-1 ]
[ 160485-42-7 ]

Yield	Reaction Conditions	Operation in experiment
91%		2.3. Preparation of (2-fluoro-6-hydroxymethyl-phenyl)-methanol (5) Starting from <strong>[1583-67-1]fluoro-phthalic Acid</strong> A 500 mL four necked round bottom flask equipped with a thermometer, mechanic stirrer and an inert gas supply was charged with <strong>[1583-67-1]3-<strong>[1583-67-1]fluorophthalic acid</strong></strong> (18.41 g, 100 mmol) dissolved in THF (92 mL) and cooled to 0-5 C. A solution of sodium dihydrido-bis(2-methoxyethoxy)aluminate (143 mL of a 3.5M solution) in toluene (500 mL) was added over 93 min. The reaction mixture was stirred for 1 h at 0-5 C. and then for 2 h at RT. The light orange solution was cooled to 0-5 C. and a solution of brine (125 mL) and 2M NaOH (125 mL) was added dropwise over 13 min. The organic phase was separated and the aqueous solution was extracted with tert-butyl methyl ether (240 mL), the combined organic phases were dried (280 g Na2SO4), filtered and evaporated in a rotary evaporator at 40 C. and 300-10 mbar. The residue was treated three times with a solution of tert-butyl methyl ether (10 mL) and toluene (50 mL) and evaporated at 40 C. and 300-10 mbar to afford 14.25 g (91%) of (2-fluoro-6-hydroxymethyl-phenyl)-methanol as beige crystals: MS (EI): 138 (100), 137 (79), 109 (57).
3.73 g (99%)	In tetrahydrofuran; diethyl ether; ethyl acetate;	Step A 3-fluoro-1,2-di-(hydroxymethyl)benzene To a stirred solution of borane.tetrahydrofuran complex (50 mL of 1.5 M solution in tetrahydrofuran/diethyl ether) cooled to 0 C. under argon was added a solution of <strong>[1583-67-1]3-<strong>[1583-67-1]fluorophthalic acid</strong></strong> (4.51 g; 24.0 mmol) in tetrahydrofuran (40 mL) dropwise over a 15 minute period. At the end of the addition, the mixture was allowed to stir for 2 h at 0 C. The mixture was allowed to warm to room temperature and then refluxed for 20 h. The mixture was allowed to cool to room temperature, quenched with methanol (30 mL) and concentrated in vacuo. The residue was taken up into ethyl acetate (150 mL), washed with saturated sodium bicarbonate solution. The aqueous layer was further extracted with ethyl acetate (2*125 mL) and the combined extracts were washed with brine solution. The organic extract was dried (sodium sulfate), filtered and concentrated in vacuo to give 3.73 g (99%) of 3-fluoro-1,2-di-(hydroxymethyl)benzene as a white solid: ES-LRMS calcd for C8H8FO2 (M+-1) 155, found 155.

Reference： [1]Patent: US2009/143589,2009,A1 .Location in patent: Page/Page column 5
[2]Synthesis,1994,p. 1035 - 1036
[3]Angewandte Chemie - International Edition,2019,vol. 58,p. 14120 - 14124
Angew. Chem.,2019,vol. 131,p. 14258 - 14262,5
[4]Methods in Enzymology,2020,vol. 639,p. 313 - 332
[5]Patent: US2002/82260,2002,A1

7
[ 1583-67-1 ]
3-Fluor-1,2-dihydro-phthalsaeure [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1972,vol. 94,p. 5906 - 5907

8
[ 1583-67-1 ]
[ 876291-59-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 1388 - 1391

9
[ 1583-67-1 ]
[ 876291-64-4 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 1388 - 1391

10
[ 1583-67-1 ]
[ 876291-60-0 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 1388 - 1391

11
[ 1583-67-1 ]
[2-(1,3-dioxo-2-phenyl-indan-2-yl)-ethyl]-methyl-amino}-acetic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 1388 - 1391

12
[ 1583-67-1 ]
[2-(1,3-dioxo-2-phenyl-indan-2-yl)-ethyl]-methyl-amino}-acetic acid tert-butyl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 1388 - 1391

13
[ 1583-67-1 ]
[2-(4-fluoro-1,3-dioxo-2-phenyl-indan-2-yl)-ethyl]-methyl-amino}-acetic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 1388 - 1391

14
[ 1583-67-1 ]
[2-(4-fluoro-1,3-dioxo-2-phenyl-indan-2-yl)-ethyl]-methyl-amino}-acetic acid tert-butyl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 1388 - 1391

15
[ 1583-67-1 ]
[ 94802-89-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 1388 - 1391

16
[ 1583-67-1 ]
[ 104079-37-0 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 1388 - 1391

17
[ 1583-67-1 ]
3-fluorobenzene-1,2-dicarbaldehyde [ No CAS ]

Reference： [1]Synthesis,1994,p. 1035 - 1036
[2]Angewandte Chemie - International Edition,2019,vol. 58,p. 14120 - 14124
Angew. Chem.,2019,vol. 131,p. 14258 - 14262,5
[3]Methods in Enzymology,2020,vol. 639,p. 313 - 332

18
[ 1583-67-1 ]
[ 2211-82-7 ]

Reference： [1]Canadian Journal of Chemistry,1980,vol. 58,p. 2484 - 2490

19
[ 1583-67-1 ]
[ 2211-81-6 ]

Reference： [1]Canadian Journal of Chemistry,1980,vol. 58,p. 2484 - 2490

20
[ 1583-67-1 ]
[ 123030-47-7 ]

Reference： [1]Journal of Organic Chemistry,1989,vol. 54,p. 5101 - 5104

21
[ 1583-67-1 ]
[ 123030-48-8 ]

Reference： [1]Journal of Organic Chemistry,1989,vol. 54,p. 5101 - 5104

22
[ 1583-67-1 ]
[ 123030-49-9 ]

Reference： [1]Journal of Organic Chemistry,1989,vol. 54,p. 5101 - 5104

23
[ 1583-67-1 ]
[ 125495-47-8 ]

Reference： [1]Journal of the American Chemical Society,1990,vol. 112,p. 2577 - 2581

24
[ 1583-67-1 ]
[ 125495-42-3 ]

Reference： [1]Journal of the American Chemical Society,1990,vol. 112,p. 2577 - 2581

25
2,3-Dimethyl-phenyldiazonium [ No CAS ]
[ 1583-67-1 ]

Reference： [1]Journal of Organic Chemistry,1961,vol. 26,p. 3208 - 3211

26
[ 87-59-2 ]
[ 1583-67-1 ]

Reference： [1]Journal of Organic Chemistry,1961,vol. 26,p. 3208 - 3211

27
[ 1583-67-1 ]
[ 183448-41-1 ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid; In methanol;	Step A <strong>[1583-67-1]3-<strong>[1583-67-1]fluorophthalic acid</strong></strong>, dimethyl ester Hydrochloric acid was bubbled into a stirred solution of <strong>[1583-67-1]3-<strong>[1583-67-1]fluorophthalic acid</strong></strong> (2.00 g; 10.9 mmol) in dry methanol at room temperature for 2 minutes. The mixture was warmed to reflux. After 1 h at at reflux, 1 mL of concentrated sulfuric acid was added and reflux continued for 22 h. The mixture was allowed to cool to room temperature and then neutralized with saturated sodium bicarbonate solution. The resulting mixture was extracted with ethyl acetate. The extracts were dried (sodium sulfate), filtered and concentrated in vacuo to give 1.70 g of <strong>[1583-67-1]3-<strong>[1583-67-1]fluorophthalic acid</strong></strong>, dimethyl ester as an oil.

Reference： [1]Patent: US2002/82260,2002,A1

28
[ 1583-67-1 ]
[ 455-38-9 ]

Reference： [1]Organic Letters,2009,vol. 11,p. 5710 - 5713
[2]Chemistry - A European Journal,2013,vol. 19,p. 14034 - 14038

29
1,3,5-tris(1-imidazolyl)benzene [ No CAS ]
cadmium sulfate [ No CAS ]
[ 1583-67-1 ]
[ 7732-18-5 ]
[ 1381875-85-9 ]

Reference： [1]Inorganic Chemistry Communications,2012,vol. 20,p. 108 - 111

30
1,3,5-tris(1-imidazolyl)benzene [ No CAS ]
cobalt(II) chloride hexahydrate [ No CAS ]
[ 1583-67-1 ]
[ 7732-18-5 ]
[ 1381875-86-0 ]

Reference： [1]Inorganic Chemistry Communications,2012,vol. 20,p. 108 - 111

31
[ 553-26-4 ]
[ 1583-67-1 ]
[ 5970-45-6 ]
[Zn(3-fluorophthalate)(4,4'-bipyridine)*H₂O]*2H₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
42%	With sodium hydroxide; In water; at 160℃; for 72h;	A mixture of Zn(OAc)2·2H2O (0.0439 g, 0.2 mmol), H2fpht (0.0370 g, 0.2 mmol), bpy (0.0312 g, 0.2 mmol), 2 mol L-1 NaOH (0.15 ml) and distilled water (5 ml) was sealed in a Teflon-lined reactor and heated at 160 C for 3 days. After slow cooling to room temperature, colorless crystals 2 were collected (yield: 42% based on Zn). Anal. Calc. For C18H17FN2O7Zn(457.71): C, 47.23; H, 3.74; N, 6.12. Found: C, 47.83; H, 4.04; N, 6.61%. IR (KBr pellet, cm-1): 3435(m, br), 1714(m), 1631(s), 1603(m), 1410(m), 1363(m), 1279(m), 1212(m), 1134(m), 1065(m), 1013(m), 943(m), 809(m), 762(m), 688(w), 638(m), 570(w), 545(w), 456(w).

Reference： [1]Polyhedron,2013,vol. 50,p. 208 - 214

32
[ 553-26-4 ]
cobalt(II) chloride hexahydrate [ No CAS ]
[ 1583-67-1 ]
[Co(3-fluorophthalate)(4,4'-bipyridine)*2H₂O]*2H₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
47%	With sodium hydroxide; In water; at 140℃; for 72h;	A mixture of CoCl2·6H2O (0.0475 g, 0.20 mmol), H2fpht (0.0370 g, 0.2 mmol), bpy (0.0158 g, 0.1 mmol), 2 mol L-1 NaOH (0.15 ml) and distilled water (10 ml) was sealed in a Teflon-lined reactor and heated at 140 C for 3 days. Purple column crystals were collected (yield: 47% based on Co). Anal. Calc. For C18H14CoF2N2O8(483.24): C, 46.07; H, 4.08; N, 5.97. Found: C, 46.34; H, 3.81; N, 6.02%. IR (KBr pellet, cm-1): 3420(s, br), 1615(s), 1556(s), 1475(m), 1407(s), 1388(s), 1243(m), 1224(m), 1068(m), 1023(m), 962(m), 820(m), 767(m), 613(w), 580(w), 518(w), 476(w), 421(w).

Reference： [1]Polyhedron,2013,vol. 50,p. 208 - 214

33
[ 553-26-4 ]
manganese (II) sulfate monohydrate [ No CAS ]
[ 1583-67-1 ]
[Mn(3-fluorophthalate)(4,4'-bipyridine)*2H₂O]*2H₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
43%	With sodium hydroxide; In water; at 150℃; for 72h;	A mixture of MnSO4·H2O (0.0339 g, 0.20 mmol), H2fpht (0.0370 g, 0.2 mmol), bpy (0.0159 g, 0.1 mmol), 2 mol L-1 NaOH (0.20 ml) and distilled water (10 ml) was sealed in a Teflon-lined reactor and heated at 150 C for 3 days. Light yellow column crystals were collected (yield: 43% based on Mn). Anal. Calc. For C18H19FMnN2O8(465.29): C, 46.46; H, 4.12; N, 6.02. Found: C, 46.13; H, 3.94; N, 6.32%. IR (KBr pellet, cm-1): 3468(s, br), 1606(s), 1571(s), 1473(m), 1449(m), 1397(s), 1243(m), 1215(m), 963(w), 854(m), 807(m), 778(s), 630(m), 567(w), 526(w).

Reference： [1]Polyhedron,2013,vol. 50,p. 208 - 214

34
[ 553-26-4 ]
cadmium sulfate * 3 H₂O [ No CAS ]
[ 1583-67-1 ]
[Cd(3-fluorophthalate)(4,4'-bipyridine)*2H₂O]*2H₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
40%	With sodium hydroxide; In water; at 120℃; for 72h;	Prepared as described for 1 except that CdSO4·3H2O instead of CuSO4·5H2O was used. Colorless column crystals 5 were collected (yield: 40% based on Cd). Anal. Calc. For C18H19CdFN2O8522.75: C, 41.36; H, 3.66; N, 5.36. Found: C, 41.04; H, 3.43; N, 5.74%. IR (KBr pellet, cm-1): 3441(s, br), 1605(s), 1569(s), 1470(w), 1448(w), 1392(s), 1242(m), 1219(m), 1012(w), 961(w), 853(m), 806(m), 777(m), 633(m), 567(w), 523(w).

Reference： [1]Polyhedron,2013,vol. 50,p. 208 - 214

35
[ 553-26-4 ]
nickel(II) sulfate hexahydrate [ No CAS ]
[ 1583-67-1 ]
[Ni(3-fluorophthalate)(4,4'-bipyridine)*2H₂O]*0.5H₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
40%	With sodium hydroxide; In water; at 120℃; for 72h;	Syntheses Preparation of Cu(fpht)(bpy)0.5 (1). A mixture of CuSO4·5H2O (0.0248 g, 0.10 mmol), H2fpht (0.0187 g, 0.1 mmol), bpy (0.0078 g, 0.05 mmol), 1 mol L-1 NaOH (0.10 ml) and distilled water (10 ml) was sealed in a Teflon-lined reactor and heated at 120 C for 3 days. After slow cooling to room temperature, blue block crystals of 1 were obtained (yield: 35% based on Cu). Anal. Calc. For C13H7CuFNO4(323.74): C, 48.23; H, 2.18; N, 4.33. Found: C, 48.04; H, 2.04; N, 4.62%. IR (KBr pellet, cm-1): 1649(s), 1614(m), 1520(s), 1486(m), 1414(s), 1334(s), 1247(m), 1223(m), 1133(m), 970(m), 850(m), 822(s), 771(m), 708(m), 650(m), 580(w), 532(w), 487(w), 450(w).

Reference： [1]Polyhedron,2013,vol. 50,p. 208 - 214

36
[ 553-26-4 ]
copper(ll) sulfate pentahydrate [ No CAS ]
[ 1583-67-1 ]
Cu(3-fluorophthalate)(4,4'-bipyridine)0.5 [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
35%	With sodium hydroxide; In water; at 120℃; for 72h;	General procedure: A mixture of CuSO4·5H2O (0.0248 g, 0.10 mmol), H2fpht (0.0187 g, 0.1 mmol), bpy (0.0078 g, 0.05 mmol), 1 mol L-1 NaOH (0.10 ml) and distilled water (10 ml) was sealed in a Teflon-lined reactor and heated at 120 C for 3 days. After slow cooling to room temperature, blue block crystals of 1 were obtained (yield: 35% based on Cu). Anal. Calc. For C13H7CuFNO4(323.74): C, 48.23; H, 2.18; N, 4.33. Found: C, 48.04; H, 2.04; N, 4.62%. IR (KBr pellet, cm-1): 1649(s), 1614(m), 1520(s), 1486(m), 1414(s), 1334(s), 1247(m), 1223(m), 1133(m), 970(m), 850(m), 822(s), 771(m), 708(m), 650(m), 580(w), 532(w), 487(w), 450(w).

Reference： [1]Polyhedron,2013,vol. 50,p. 208 - 214

37
[ 1583-67-1 ]
[ 1234363-74-6 ]