Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Amino-2-methylbenzoic acid |
EINECS | N/A |
CAS No. | 2486-75-1 | Density | 1.254 g/cm3 |
PSA | 63.32000 | LogP | 1.85660 |
Solubility | N/A | Melting Point |
160-165 °C |
Formula | C8H9NO2 | Boiling Point | 339.5 °C at 760 mmHg |
Molecular Weight | 151.165 | Flash Point | 159.1 °C |
Transport Information | N/A | Appearance | white or yellow crystal |
Safety | 26 | Risk Codes | 22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
o-Toluicacid, 4-amino- (6CI,7CI,8CI);2-Methyl-4-aminobenzoic acid;2-Methyl-p-aminobenzoic acid;NSC 49299; |
Article Data | 9 |
Conditions | Yield |
---|---|
With 5%-palladium/activated carbon; hydrogen In ethanol under 12001.2 Torr; Flow reactor; | 98% |
With hydrogenchloride; tin | |
With hydrogen; palladium 10% on activated carbon In methanol at 20℃; for 16h; |
2-methyl-4-aminobenzonitrile
4-amino-2-methylbenzoic acid
Conditions | Yield |
---|---|
With water; sodium hydroxide In ethylene glycol at 100℃; for 6h; | 95.6% |
5-nitro-3H-isobenzofuran-1-one
4-amino-2-methylbenzoic acid
Conditions | Yield |
---|---|
With phosphorus; hydrogen iodide at 205℃; |
hydrogenchloride
4-acetylamino-2-methylbenzoic acid
4-amino-2-methylbenzoic acid
2-methyl-4-aminobenzaldehyde
4-amino-2-methylbenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydroxylamine hydrochloride; sodium formate; formic acid / 3 h / 100 °C 2: water; sodium hydroxide / ethylene glycol / 6 h / 100 °C View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: trichlorophosphate / 6 h / 0 - 60 °C 2: hydroxylamine hydrochloride; sodium formate; formic acid / 3 h / 100 °C 3: water; sodium hydroxide / ethylene glycol / 6 h / 100 °C View Scheme |
4-amino-2-methylbenzoic acid
ortho-toluoyl chloride
2-methyl-4-(2-methylbenzoylamino)benzoic acid
Conditions | Yield |
---|---|
With pyridine In chloroform at 0 - 40℃; for 8h; Reagent/catalyst; Solvent; Temperature; | 95.6% |
Conditions | Yield |
---|---|
With hydrogenchloride In water Reflux; | 85% |
4-amino-2-methylbenzoic acid
Conditions | Yield |
---|---|
With acetic acid In acetonitrile at 90℃; for 15h; | 80.2% |
With acetic acid In acetonitrile at 90℃; for 15h; Inert atmosphere; | 80.2% |
With acetic acid In acetonitrile at 90℃; for 15h; | 80.2% |
With acetic acid In acetonitrile at 90℃; for 15h; Inert atmosphere; | 560 mg |
With acetic acid In acetonitrile at 90℃; for 15h; | 560 mg |
TheIUPAC name of this chemical is 4-amino-2-methylbenzoic acid. With the CAS registry number 2486-75-1, it is also named as Benzoic acid, 4-amino-2-methyl-. The product's categories are Amino Acids and Derivatives; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Aromatic Amino Acids Carbonyl Compounds; Carboxylic Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. In addition, it is harmful if swallowed.
The other characteristics of 4-Amino-2-methylbenzoic acid can be summarized as: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4):; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.72; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 42.24 cm3; (15)Molar Volume: 120.5 cm3; (16)Surface Tension: 58.2 dyne/cm; (17)Enthalpy of Vaporization: 61.53 kJ/mol; (18)Vapour Pressure: 3.56E-05 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 3; (21)Exact Mass: 151.063329; (22)MonoIsotopic Mass: 151.063329; (23)Topological Polar Surface Area: 63.3; (24)Heavy Atom Count: 11; (25)Complexity: 158.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)c1c(cc(N)cc1)C
2. InChI:InChI=1/C8H9NO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
3. InChIKey:XRSQZFJLEPBPOZ-UHFFFAOYAD
4. Std. InChI:InChI=1S/C8H9NO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
5. Std. InChIKey:XRSQZFJLEPBPOZ-UHFFFAOYSA-N