CAS No.2486-75-1,4-Amino-2-methylbenzoic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2486-75-1
Name:	4-Amino-2-methylbenzoic acid
Article Data:	9

Formula:	C₈H₉NO₂
Molecular Weight:	151.165
Synonyms:	o-Toluicacid, 4-amino- (6CI,7CI,8CI);2-Methyl-4-aminobenzoic acid;2-Methyl-p-aminobenzoic acid;NSC 49299;
Density:	1.254 g/cm³
Melting Point:	160-165 °C
Boiling Point:	339.5 °C at 760 mmHg
Flash Point:	159.1 °C
Appearance:	white or yellow crystal
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	26
PSA:	63.32000
LogP:	1.85660

Synthetic route

: 1975-51-5
2-methyl-4-nitrobenzoic acid

: 2486-75-1
4-amino-2-methylbenzoic acid

Conditions

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;

: 72115-06-1
2-methyl-4-aminobenzonitrile

: 2486-75-1
4-amino-2-methylbenzoic acid

Conditions

Conditions	Yield
With water; sodium hydroxide In ethylene glycol at 100℃; for 6h;	95.6%

: 67081-02-1
5-nitro-3H-isobenzofuran-1-one

: 2486-75-1
4-amino-2-methylbenzoic acid

Conditions

Conditions	Yield
With phosphorus; hydrogen iodide at 205℃;

: 7647-01-0
hydrogenchloride

: 1975-51-5
2-methyl-4-nitrobenzoic acid

tin: tin

: 2486-75-1
4-amino-2-methylbenzoic acid

...Expand

: 7647-01-0
hydrogenchloride

: 103204-69-9
4-acetylamino-2-methylbenzoic acid

: 2486-75-1
4-amino-2-methylbenzoic acid

: 61594-81-8
2-methyl-4-aminobenzaldehyde

: 2486-75-1
4-amino-2-methylbenzoic acid

Conditions

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

: 108-44-1
1-amino-3-methylbenzene

: 2486-75-1
4-amino-2-methylbenzoic acid

Conditions

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

: 2486-75-1
4-amino-2-methylbenzoic acid

: 933-88-0
ortho-toluoyl chloride

: 317374-08-6
2-methyl-4-(2-methylbenzoylamino)benzoic acid

Conditions

Conditions	Yield
With pyridine In chloroform at 0 - 40℃; for 8h; Reagent/catalyst; Solvent; Temperature;	95.6%

: 67-56-1
methanol

: 2486-75-1
4-amino-2-methylbenzoic acid

: 6933-47-7
methyl 4-amino-2-methylbenzoate

Conditions

Conditions	Yield
With hydrogenchloride In water Reflux;	85%

: 2486-75-1
4-amino-2-methylbenzoic acid

: 2-(4-(8-chloroimidazo[1,2-a]pyrazin-3-yl)-2,3-difluorophenoxyl)propanenitrile

: 4-((3-(4-(1-cyanoethoxyl)-2,3-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl)amino)-2-methylbenzoic acid

Conditions

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

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Specification

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