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CAS No.: | 2941-78-8 |
---|---|
Name: | 2-Amino-5-methylbenzoic acid |
Article Data: | 35 |
Molecular Structure: | |
Formula: | C8H9NO2 |
Molecular Weight: | 151.165 |
Synonyms: | 2-amino-5-methyl-benzoic acid;m-Toluic acid, 6-amino-;Benzoic acid, 2-amino-5-methyl-;6-Amino-m-toluic acid;5-Methylanthranilic acid;2-amino-5-methylbenzoic acid;5-methylanthranilic acid;;L-Tartaric acid diiopropyl ester; |
EINECS: | 220-932-3 |
Density: | 1.254 g/cm3 |
Melting Point: | 175 °C (dec.)(lit.) |
Boiling Point: | 316.6 °C at 760 mmHg |
Flash Point: | 145.3 °C |
Appearance: | light-brown solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 63.32000 |
LogP: | 1.85660 |
Conditions | Yield |
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Stage #1: 5,5'-dimethyl-1H,1'H-[2,2']biindolylidene-3,3'-dione With bromamine B; sodium hydroxide; palladium dichloride In water; acetonitrile at 60℃; for 2h; pH=12; Stage #2: In water Acidic conditions; | 97% |
Conditions | Yield |
---|---|
With hydrogen; palladium 10% on activated carbon In ethanol at 20℃; | 96% |
With hydrogen; palladium 10% on activated carbon In ethanol at 20℃; | 96% |
With palladium on activated carbon; hydrogen In ethyl acetate at 20℃; for 14h; Saturated gas; | 94% |
Conditions | Yield |
---|---|
Stage #1: 5-methyl-1H-indole With bromamine B; sodium hydroxide; palladium dichloride In water; acetonitrile at 60℃; for 3.33333h; pH=12; Stage #2: In water Acidic conditions; | 96% |
With ruthenium trichloride; osmium(VIII) oxide; bromamine B; sodium hydroxide In water; acetonitrile at 39.84℃; for 4h; | 96% |
2-Amino-5-methylbenzoic acid
Conditions | Yield |
---|---|
Stage #1: resin-bound 5-methyl-2-nitrobenzoic acid With aluminium; nickel dichloride at 20℃; for 60h; Stage #2: With trifluoroacetic acid | 85% |
2-Amino-5-methylbenzoic acid
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate; sodium iodide In acetonitrile at 20℃; for 0.666667h; | 80% |
Conditions | Yield |
---|---|
With sodium hydroxide; dihydrogen peroxide in der Siedehitze; | |
With hydroxide; dihydrogen peroxide | |
With dihydrogen peroxide; sodium hydroxide In water | |
With sodium hydroxide; dihydrogen peroxide at 10 - 15℃; |
Conditions | Yield |
---|---|
With hydrogenchloride at 100℃; |
2,4-dioxo-3-(p-tolyl)-6-methyl-1,2,3,4-tetrahydroquinazoline
2-Amino-5-methylbenzoic acid
Conditions | Yield |
---|---|
With potassium hydroxide |
2-(4,6-dimethyl-benzothiazol-2-yl)-4-methyl-aniline
A
2-Amino-5-methylbenzoic acid
B
3,5-dimethyl-2-aminobenzenethiol
Conditions | Yield |
---|---|
bei der Kalischmelze; |
6-methyl-3-phenyl-2,4-(1H,3H)-quinazolinedione
2-Amino-5-methylbenzoic acid
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The IUPAC name of 2-Amino-5-methylbenzoic acid is 2-Amino-5-methylbenzoic acid. With the CAS registry number 2941-78-8, it is also named as 6-Amino-m-toluic acid. The product's categories are Carboxylicacid; Fine Chemical & Intermediates; Amino Acids and Derivatives; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Organic acids; Aromatics Compounds; Aromatics. Besides, it is light-brown solid, which should be stored in closed, cool and dry place. In addition, its molecular formula is C8H9NO2 and molecular weight is 151.16.
The other characteristics of this product can be summarized as: (1)EINECS: 220-932-3; (2)ACD/LogP: 1.67; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.73; (5)ACD/LogD (pH 7.4): -0.95; (6)ACD/BCF (pH 5.5): 1.25; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 21.98; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 3; (11)H bond donors: 3; (12)Freely Rotating Bonds: 2; (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)Density: 1.254 g/cm3; (18)Flash Point: 145.3 °C; (19)Melting point: 174-177 °C; (20)Enthalpy of Vaporization: 58.9 kJ/mol; (21)Boiling Point: 316.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000171 mmHg at 25 °C.
Preparation of 2-Amino-5-methylbenzoic acid: this chemical can be prepared by 5-Methyl-2-nitro-benzoic acid.
This reaction needs N2H4*H2O, Ethanol and Raney-Ni at temperature of 40 °C.The yield is 65 %.
Uses of 2-Amino-5-methylbenzoic acid: it can react with Acetic acid anhydride to get 2-Acetylamino-5-methyl-benzoic acid.
This reaction needs Acetylation by heating for 1 hour. The yield is 93 %.
When you are using this chemical, please be cautious about it as the following: 2-Amino-5-methylbenzoic acid is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)c1cc(ccc1N)C
(2)InChI:InChI=1/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
(3)InChIKey:NBUUUJWWOARGNW-UHFFFAOYAI
(4)Std. InChI:InChI=1S/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
(5)Std. InChIKey:NBUUUJWWOARGNW-UHFFFAOYSA-N