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Cas Database |
| Name |
Bis(4-amino-3-carboxyphenyl)methane |
EINECS | 230-830-0 |
| CAS No. | 7330-46-3 | Density | 1.442 g/cm3 |
| PSA | 126.64000 | LogP | 3.00060 |
| Solubility | N/A | Melting Point |
262℃ (water acetic acid ) |
| Formula | C15H14N2O4 | Boiling Point | 576.4 °C at 760 mmHg |
| Molecular Weight | 286.287 | Flash Point | 302.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Anthranilicacid, 5,5'-methylenedi- (6CI,7CI,8CI);3,3'-Dicarboxy-4,4'-diaminodiphenylmethane;4,4'-Diamino-3,3'-dicarboxydiphenylmethane;4,4'-Diaminodiphenylmethane-3,3'-dicarboxylic acid;5,5'-Methylenebis[2-aminobenzoic acid];5,5'-Methylenedianthranilic acid;Benzoic acid, 5,5'-methylenebis[2-amino-;CB 37136;NCI 37136; |
Article Data | 7 |
Bis(4-amino-3-carboxyphenyl)methane Synthetic route
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water at 70℃; for 4h; | 85% |
| With hydrogenchloride In water at 70℃; for 4h; | 33.6% |
| With hydrogenchloride In water at 70℃; for 40h; Product distribution / selectivity; |
- 31383-81-0
4,4'-methylenebisanthranilic acid dimethyl ester
- 7330-46-3
4,4'-diamino-3,3'-dicarboxydiphenylmethane
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
- 61098-02-0
N,N'-methylene bis(anthranilic acid)
- 7330-46-3
4,4'-diamino-3,3'-dicarboxydiphenylmethane
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 7647-01-0
hydrogenchloride
- 61098-02-0
N,N'-methylene bis(anthranilic acid)
- 7330-46-3
4,4'-diamino-3,3'-dicarboxydiphenylmethane
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: water; alcohol / 20 °C 2: diluted hydrochloric acid View Scheme |
| Conditions | Yield |
|---|---|
| With 1,8-diazabicyclo[5.4.0]undec-7-ene In dimethyl sulfoxide at 20℃; for 48h; | 96% |
- 7330-46-3
4,4'-diamino-3,3'-dicarboxydiphenylmethane
- 108-24-7
acetic anhydride
- 20006-47-7
6,6'-Methylenebis<2-methyl-4H-3,1-benzoxazin-4-one>
| Conditions | Yield |
|---|---|
| for 5h; Heating; | 95% |
| for 6h; Heating; | 90% |
| for 10h; Condensation; Heating; |
| Conditions | Yield |
|---|---|
| With N,N-dimethyl-formamide for 0.075h; Microwave irradiation; | 95% |
- 7330-46-3
4,4'-diamino-3,3'-dicarboxydiphenylmethane
- 439277-55-1
2-chloro-3-(4-chlorophenyl)-1,8-naphthyridine
| Conditions | Yield |
|---|---|
| With N,N-dimethyl-formamide for 0.1h; Microwave irradiation; | 95% |
- 1082429-86-4
2-chloro-3-(4-fluorophenyl)-1,8-naphthyridine
- 7330-46-3
4,4'-diamino-3,3'-dicarboxydiphenylmethane
| Conditions | Yield |
|---|---|
| With N,N-dimethyl-formamide for 0.0916667h; Microwave irradiation; | 94% |
Bis(4-amino-3-carboxyphenyl)methane Specification
The Bis(4-amino-3-carboxyphenyl)methane, with the CAS registry number 7330-46-3, is also known as 5,5'-Methylenedianthranilic acid. Its EINECS number is 230-830-0. This chemical's molecular formula is C15H14N2O4 and molecular weight is 286.28. What's more, its systematic name is 3,3'-methanediylbis(6-aminobenzoic acid).
Physical properties of Bis(4-amino-3-carboxyphenyl)methane are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): -1.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.16; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 59.08 Å2; (13)Index of Refraction: 1.714; (14)Molar Refractivity: 77.89 cm3; (15)Molar Volume: 198.4 cm3; (16)Polarizability: 30.88×10-24 cm3; (17)Surface Tension: 80.3 dyne/cm; (18)Density: 1.442 g/cm3; (19)Flash Point: 302.4 °C; (20)Enthalpy of Vaporization: 90.8 kJ/mol; (21)Boiling Point: 576.4 °C at 760 mmHg; (22)Vapour Pressure: 3.96E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)c1cc(ccc1N)Cc2cc(C(=O)O)c(N)cc2
(2)InChI: InChI=1/C15H14N2O4/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7H,5,16-17H2,(H,18,19)(H,20,21)
(3)InChIKey: QRUWUSOUUMPANJ-UHFFFAOYAT
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