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CAS No.: | 2538-68-3 |
---|---|
Name: | PHENAZINE-1-CARBOXYLIC ACID |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C13H8N2O2 |
Molecular Weight: | 224.219 |
Synonyms: | Phenazinecarboxylicacid (6CI);NSC 15851;Phenazine-a-carboxylic acid;Tubermycin B; |
Density: | 1.431 g/cm3 |
Melting Point: | 242-244℃ |
Boiling Point: | 494.6 °C at 760 mmHg |
Flash Point: | 252.9 °C |
Hazard Symbols: | Xi |
PSA: | 63.08000 |
LogP: | 2.48120 |
Conditions | Yield |
---|---|
With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); oxygen In acetonitrile at 80℃; for 10h; Reagent/catalyst; Green chemistry; | 98.2% |
6-nitrodiphenylamine-2-carboxylic acid
tubermycin B
Conditions | Yield |
---|---|
With sodium tetrahydroborate; sodium ethanolate In ethanol for 1h; Heating; | 82% |
With sodium tetrahydroborate; sodium hydroxide for 4h; | 79.4% |
With sodium tetrahydroborate; sodium ethanolate In ethanol at 65℃; for 24h; Inert atmosphere; | 54% |
N-(2-fluorophenyl)-3-nitroanthranilic acid
tubermycin B
Conditions | Yield |
---|---|
With sodium tetrahydroborate In ethanol for 1h; Heating; | 82% |
1-cyanophenazine
tubermycin B
Conditions | Yield |
---|---|
With sulfuric acid at 140℃; for 1h; | 75% |
With potassium hydroxide |
N-(2-methoxyphenyl)-3-nitroanthranilic acid
A
tubermycin B
B
9-methoxyphenazine-1-carboxylic acid
Conditions | Yield |
---|---|
With sodium tetrahydroborate; sodium methylate In methanol Heating; | A n/a B 33% |
Conditions | Yield |
---|---|
With potassium hydroxide at 150 - 160℃; | 30% |
With potassium hydroxide at 145 - 160℃; |
2-((2-chlorophenyl)amino)-3-nitrobenzoic acid
A
tubermycin B
B
9-chlorophenazine-1-carboxylic acid
Conditions | Yield |
---|---|
With sodium hydroxide; sodium tetrahydroborate | A n/a B 21% |
N-(2-phenoxyphenyl)-3-nitroanthranilic acid
A
tubermycin B
B
9-phenoxyphenazine-1-carboxylic acid
Conditions | Yield |
---|---|
With sodium hydroxide; sodium tetrahydroborate for 48h; Reductive cyclization; Heating; | A n/a B 10% |
Conditions | Yield |
---|---|
With chromium(VI) oxide; sulfuric acid; acetic acid |
Conditions | Yield |
---|---|
With chromium(VI) oxide |
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This chemical is called 1-Phenazinecarboxylic acid, and its systematic name is phenazine-1-carboxylic acid. With the molecular formula of C13H8N2O2, its molecular weight is 224.21. The CAS registry number of this chemical is 2538-68-3. Additionally, its classification codes are Drug / Therapeutic Agent; Natural Product.
Other characteristics of the 1-Phenazinecarboxylic acid can be summarised as followings: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.05; (4)ACD/LogD (pH 7.4): -0.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.53; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.769; (14)Molar Refractivity: 65.05 cm3; (15)Molar Volume: 156.6 cm3; (16)Polarizability: 25.78×10-24cm3; (17)Surface Tension: 77.8 dyne/cm; (18)Density: 1.431 g/cm3; (19)Flash Point: 252.9 °C; (20)Enthalpy of Vaporization: 80.25 kJ/mol; (21)Boiling Point: 494.6 °C at 760 mmHg; (22)Vapour Pressure: 1.34E-10 mmHg at 25°C.
Production method of this chemical: The 1-Phenazinecarboxylic acid could be obtained by the reactant of phenazine-1-carbonitrile. This reaction needs the reagent of aq. H2SO4. The yield is 75 %. In addition, this reaction should be taken for 1 hour at the temperature of 140 °C.
Uses of this chemical: The 1-Phenazinecarboxylic acid could react with methanol, and obtain the phenazine-1-carboxylic acid methyl ester. This reaction needs the reagent of H2SO4. The yield is 86 %.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2cccc1nc3c(nc12)cccc3
2.InChI: InChI=1/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17)
3.InChIKey: JGCSKOVQDXEQHI-UHFFFAOYAS
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | Antibiotiki. Vol. 26, Pg. 135, 1981. Link to PubMed | |
mouse | LD50 | intravenous | 400mg/kg (400mg/kg) | "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 5, Pg. 143, 1981. |