CAS No.53297-70-4,3-Methyl-4-aminobenzensulfonamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53297-70-4
Name:	3-Methyl-4-aminobenzensulfonamide
Article Data:	7

Formula:	C₇H₁₀N₂O₂S
Molecular Weight:	186.235
Synonyms:	2-Methyl-4-sulfamoylaniline;4-Amino-3-methylbenzenesulfonamide;
Density:	1.359 g/cm³
Melting Point:	174 °C
Boiling Point:	409.3 °C at 760 mmHg
Flash Point:	201.3 °C
Hazard Symbols:	Xi
Risk Codes:	20/21/22-36/37/38
Safety:	22-26-36/37/39
PSA:	94.56000
LogP:	2.58690

Synthetic route

: 252562-03-1
N-[4-(aminosulfonyl)-2-methylphenyl]acetamide

: 53297-70-4
4-amino-3-methylbenzenesulfonamide

Conditions

Conditions	Yield
With hydrogenchloride In ethanol; water at 80℃;	100%
With hydrogenchloride; water In ethanol Reflux;	100%
Stage #1: N-[4-(aminosulfonyl)-2-methylphenyl]acetamide With hydrogenchloride In ethanol; water Heating / reflux; Stage #2: With sodium hydrogencarbonate In ethanol; water at 20℃;	93%
With hydrogenchloride
With hydrogenchloride In ethanol for 1h; Heating;

: 14988-21-7
4-(acetylamino)-3-methylbenzenesulfonyl chloride

: 53297-70-4
4-amino-3-methylbenzenesulfonamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NH4OH / tetrahydrofuran / 0.33 h / 20 °C 2: aq. HCl / ethanol / 1 h / Heating View Scheme
Multi-step reaction with 2 steps 1: ammonium hydroxide / water; tetrahydrofuran / 1 h / 0 - 20 °C 2: hydrogenchloride; water / ethanol / Reflux View Scheme

: sodium 4-(acetylamino)-3-methylbenzenesulfonate

: 53297-70-4
4-amino-3-methylbenzenesulfonamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: thionyl chloride / dimethylformamide / 2 h / -4 °C 2: NH4OH / tetrahydrofuran / 0.33 h / 20 °C 3: aq. HCl / ethanol / 1 h / Heating View Scheme
Multi-step reaction with 3 steps 1: thionyl chloride / N,N-dimethyl-formamide / 2 h / -40 - 20 °C 2: ammonium hydroxide / water; tetrahydrofuran / 1 h / 0 - 20 °C 3: hydrogenchloride; water / ethanol / Reflux View Scheme

: C10H15N3O2S

: 53297-70-4
4-amino-3-methylbenzenesulfonamide

Conditions

Conditions	Yield
Stage #1: C10H15N3O2S With lithium hydroxide; water In methanol at 50℃; for 5h; Stage #2: With hydrogenchloride In methanol; water at 25℃; for 0.25h; pH=9;

: 98-33-9
2-aminotoluene-5-sulfonic acid

: 53297-70-4
4-amino-3-methylbenzenesulfonamide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: pyridine / 2 h / 20 °C 2.1: sodium hydroxide / pyridine / 3 h / 20 °C 2.2: 2 h / -30 - 40 °C 3.1: ammonium hydroxide / tetrahydrofuran / 1 h / 0 - 20 °C 4.1: hydrogenchloride / ethanol; water / 80 °C View Scheme
Multi-step reaction with 5 steps 1: pyridine / 2 h / 20 °C 2: sodium hydroxide / water / 3 h / 20 °C 3: thionyl chloride / N,N-dimethyl-formamide / 2 h / -40 - 20 °C 4: ammonium hydroxide / water; tetrahydrofuran / 1 h / 0 - 20 °C 5: hydrogenchloride; water / ethanol / Reflux View Scheme

: 4-acetamido-3-methylbenzenesulfonic acid

: 53297-70-4
4-amino-3-methylbenzenesulfonamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium hydroxide / pyridine / 3 h / 20 °C 1.2: 2 h / -30 - 40 °C 2.1: ammonium hydroxide / tetrahydrofuran / 1 h / 0 - 20 °C 3.1: hydrogenchloride / ethanol; water / 80 °C View Scheme
Multi-step reaction with 4 steps 1: sodium hydroxide / water / 3 h / 20 °C 2: thionyl chloride / N,N-dimethyl-formamide / 2 h / -40 - 20 °C 3: ammonium hydroxide / water; tetrahydrofuran / 1 h / 0 - 20 °C 4: hydrogenchloride; water / ethanol / Reflux View Scheme

: 6-nitro-toluene-3-sulfonic acid amide

: 53297-70-4
4-amino-3-methylbenzenesulfonamide

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen In methanol at 20℃;

: 1007571-96-1
[4-chloro-3-(3-chloro-5-cyano-phenoxy)-2-fluoro-phenyl]-acetyl chloride

: 53297-70-4
4-amino-3-methylbenzenesulfonamide

: 2-[4-chloro-3-(3-chloro-5-cyano-phenoxy)-2-fluoro-phenyl]-N-(2-methyl-4-sulfamoyl-phenyl)-acetamide

Conditions

Conditions	Yield
Stage #1: [4-chloro-3-(3-chloro-5-cyano-phenoxy)-2-fluoro-phenyl]-acetyl chloride; 4-amino-3-methylbenzenesulfonamide With sodium hydrogencarbonate In acetone at 20℃; for 24h; Stage #2: With hydrogenchloride In water; acetone at 0℃;	90%

: 1056598-54-9
C15H7BrCl2FNO2

: 53297-70-4
4-amino-3-methylbenzenesulfonamide

: 2-[4-Bromo-3-(3-chloro-5-cyano-phenoxy)-2-fluoro-phenyl]-N-(2-methyl-4-sulfamoyl-phenyl)-acetamide

Conditions

Conditions	Yield
Stage #1: C15H7BrCl2FNO2; 4-amino-3-methylbenzenesulfonamide With sodium hydrogencarbonate In acetone at 0 - 20℃; for 24h; Stage #2: With hydrogenchloride In water; acetone	87%
Stage #1: C15H7BrCl2FNO2; 4-amino-3-methylbenzenesulfonamide With sodium hydrogencarbonate In acetone at 20℃; for 24h; Stage #2: With hydrogenchloride In water; acetone at 0℃;	87%

: 53297-70-4
4-amino-3-methylbenzenesulfonamide

: 598-21-0
2-Bromoacetyl bromide

: 329944-57-2
N-[4-(aminosulfonyl)-2-methylphenyl]-2-bromoacetamide

Conditions

Conditions	Yield
With pyridine In chloroform at 20℃;	69%
With pyridine In chloroform at 0 - 20℃; for 18.3333h;	69%

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Specification

The 3-Methyl-4-aminobenzensulfonamide is an organic compound with the formula C₇H₁₀N₂O₂S. The IUPAC name of this chemical is 4-amino-3-methylbenzenesulfonamide. With the CAS registry number 53297-70-4, it is also named as benzenesulfonamide, 4-amino-3-methyl-. The product's categories are Sulfonamide; Phenyls & Phenyl-Het; Miscellaneous.

The other characteristics of 3-Methyl-4-aminobenzensulfonamide can be summarized as: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.2; (8)ACD/KOC (pH 7.4): 17.19; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.609; (13)Molar Refractivity: 47.43 cm³; (14)Molar Volume: 136.9 cm³; (15)Polarizability: 18.8×10^-24 cm³; (16)Surface Tension: 58.8 dyne/cm; (17)Enthalpy of Vaporization: 66.15 kJ/mol; (18)Vapour Pressure: 6.56E-07 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 186.046298; (21)MonoIsotopic Mass: 186.046298; (22)Topological Polar Surface Area: 94.6; (23)Heavy Atom Count: 12; (24)Complexity: 245.

People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(c1ccc(N)c(c1)C)N
2. InChI:InChI=1/C7H10N2O2S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H2,9,10,11)
3. InChIKey:IGQGXIVCGKMRAM-UHFFFAOYAW
4. Std. InChI:InChI=1S/C7H10N2O2S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H2,9,10,11)
5. Std. InChIKey:IGQGXIVCGKMRAM-UHFFFAOYSA-N