CAS No.57709-61-2,1,10-Phenanthroline-2,9-dicarboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	57709-61-2
Name:	1,10-Phenanthroline-2,9-dicarboxylic acid
Article Data:	20

Formula:	C₁₄H₈N₂O₄
Molecular Weight:	268.229
Synonyms:	2,9-Dicarboxy-1,10-phenanthroline;
Density:	1.585 g/cm³
Melting Point:	239 °C(Solv: methanol (67-56-1))
Boiling Point:	563.1 °C at 760 mmHg
Flash Point:	294.3 °C
Risk Codes:	36/38
Safety:	26
PSA:	100.38000
LogP:	2.17940

Synthetic route

: 78831-41-1
2,9-Bis(trichloromethyl)-1,10-phenanthroline

: 57709-61-2
1,10-phenanthroline-2,9-dicarboxylic acid

Conditions

Conditions	Yield
With sulfuric acid In water at 85℃; for 7h;	100%
With sulfuric acid at 80 - 90℃; for 6h;	91%
With nitric acid for 3h; Heating;

: 57709-62-3
1,10-phenanthroline-2,9-dicarboxaldehyde

: 57709-61-2
1,10-phenanthroline-2,9-dicarboxylic acid

Conditions

Conditions	Yield
With nitric acid for 4h; Heating;	96%
With nitric acid for 24h; Reflux;	90%
With nitric acid for 6h; Reflux;	83.15%

: 78831-40-0
2,9-bis(tribromomethyl)-1,10-phenanthroline

: 57709-61-2
1,10-phenanthroline-2,9-dicarboxylic acid

Conditions

Conditions	Yield
With nitric acid for 3h; Heating;

: 484-11-7
2.9-dimethyl-1,10-phenanthroline

: 57709-61-2
1,10-phenanthroline-2,9-dicarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: SeO2 / dioxane / 2 h / Heating 2: 430 mg / aq. HNO3 / 2 h / Heating View Scheme
Multi-step reaction with 2 steps 1: 86 percent / NCS, 3-chloroperbenzoic acid / CCl4 / 12 h / Heating 2: 91 percent / 98percent H2SO4 / 6 h / 80 - 90 °C View Scheme
Multi-step reaction with 2 steps 1: SeO2 / dioxane 2: 96 percent / 60percent nitric acid / 4 h / Heating View Scheme

: 57709-61-2
1,10-phenanthroline-2,9-dicarboxylic acid

: 84670-37-1
1,10‐phenanthroline‐2,9‐dicarbonyl dichloride

Conditions

Conditions	Yield
With thionyl chloride at 120℃; for 1h; Inert atmosphere;	100%
With thionyl chloride for 2h; Heating;	76%
With thionyl chloride In toluene

: 14533-84-7
pentafluorophenyl trifloroacetate

: 57709-61-2
1,10-phenanthroline-2,9-dicarboxylic acid

: 516462-64-9
bis(pentafluorophenyl)-1,10-phenanthroline-2,9-dicarboxylate

Conditions

Conditions	Yield
In pyridine; N,N-dimethyl-formamide at 20℃; for 12h;	98%

: 57709-61-2
1,10-phenanthroline-2,9-dicarboxylic acid

: 4,4',4-tri-tert-butyl-2,2':6',2-terpyridine

: 1452388-81-6
C41H41N5O4Ru

Conditions

Conditions	Yield
With triethylamine In ethanol; water for 2h; Reflux;	97%

: 580-17-6
3-aminoquinoline

: 57709-61-2
1,10-phenanthroline-2,9-dicarboxylic acid

: 929895-49-8
N2,N9-di(quinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 1-hydroxy-7-aza-benzotriazole In N,N-dimethyl-formamide at 20℃; for 1h;	89%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 48h; Reagent/catalyst; Solvent; Inert atmosphere;	85%

: Ru(2,2′;6,2″-terpyridine)Cl3

: 57709-61-2
1,10-phenanthroline-2,9-dicarboxylic acid

: 1452388-79-2
C29H17N5O4Ru

Conditions

Conditions	Yield
With triethylamine In ethanol; water for 2h; Reflux;	89%

: 67-56-1
methanol

: 57709-61-2
1,10-phenanthroline-2,9-dicarboxylic acid

: 78831-35-3
2,9-dimethyl 1,10-phenanthroline-2,9-dicarboxylate

Conditions

Conditions	Yield
With sulfuric acid Reflux;	86%
With sulfuric acid at 70℃; for 10h;	78%
With hydrogenchloride for 2.5h; Heating;	67%
With hydrogenchloride for 2.5h; Reflux;	65%
With sulfuric acid

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Specification

The CAS register number of 1,10-Phenanthroline-2,9-dicarboxylic acid is 57709-61-2. It also can be called as 2,9-dicarboxy-1,10-phenanthroline and the systematic name about this chemical is 1,10-phenanthroline-2,9-dicarboxylic acid. The molecular formula about this chemical is C₁₄H₈N₂O₄and the molecular weight is 268.22. This chemical is irritating to eyes and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Physical properties about 1,10-Phenanthroline-2,9-dicarboxylic acid are: (1)ACD/LogP: 1.13; (2)ACD/LogD (pH 5.5): -2.47; (3)ACD/LogD (pH 7.4): -3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 78.38Å²; (12)Index of Refraction: 1.794; (13)Molar Refractivity: 71.98 cm³; (14)Molar Volume: 169.1 cm³; (15)Polarizability: 28.53x10^-24cm³; (16)Surface Tension: 94.5 dyne/cm; (17)Flash Point: 294.3 °C; (18)Enthalpy of Vaporization: 89.05 kJ/mol; (19)Boiling Point: 563.1 °C at 760 mmHg; (20)Vapour Pressure: 1.62E-13 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,9-bis-trichloromethyl-[1,10]phenanthroline at heating. This reaction will need reagent 80percent HNO₃ with reaction time of 3 hour(s).

Uses of 1,10-Phenanthroline-2,9-dicarboxylic acid: it can be used to produce 1,10-phenanthroline-2,9-dicarbonyl chloride. This reaction will need reagent SOCl₂and solvent toluene.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nc3c(cc1)ccc2ccc(nc23)C(=O)O
(2)InChI: InChI=1/C14H8N2O4/c17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9/h1-6H,(H,17,18)(H,19,20)
(3)InChIKey: FXSVCROWUPWXBP-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C14H8N2O4/c17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9/h1-6H,(H,17,18)(H,19,20)
(5)Std. InChIKey: FXSVCROWUPWXBP-UHFFFAOYSA-N