CAS No.7330-46-3,MBAA Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7330-46-3
Name:	MBAA
Article Data:	7

Formula:	C₁₅H₁₄N₂O₄
Molecular Weight:	286.287
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;
EINECS:	230-830-0
Density:	1.442 g/cm³
Melting Point:	262℃ (water acetic acid )
Boiling Point:	576.4 °C at 760 mmHg
Flash Point:	302.4 °C
PSA:	126.64000
LogP:	3.00060

Synthetic route

: 50-00-0
formaldehyd

: 118-92-3
anthranilic acid

: 7330-46-3
4,4'-diamino-3,3'-dicarboxydiphenylmethane

Conditions

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

Conditions	Yield
With sodium hydroxide

: 61098-02-0
N,N'-methylene bis(anthranilic acid)

: 7330-46-3
4,4'-diamino-3,3'-dicarboxydiphenylmethane

Conditions

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

: 118-92-3
anthranilic acid

: 7330-46-3
4,4'-diamino-3,3'-dicarboxydiphenylmethane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: water; alcohol / 20 °C 2: diluted hydrochloric acid View Scheme

: 7330-46-3
4,4'-diamino-3,3'-dicarboxydiphenylmethane

: 106-96-7
propargyl bromide

: C21H18N2O4

Conditions

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

Conditions	Yield
for 5h; Heating;	95%
for 6h; Heating;	90%
for 10h; Condensation; Heating;

: 7330-46-3
4,4'-diamino-3,3'-dicarboxydiphenylmethane

: C15H11ClN2

: C45H30N6O2

Conditions

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

: C43H24Cl2N6O2

Conditions

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

: C43H24F2N6O2

Conditions

Conditions	Yield
With N,N-dimethyl-formamide for 0.0916667h; Microwave irradiation;	94%

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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