Product Name

  • Name

    Methyl 2-methoxy-5-sulfamoylbenzoate

  • EINECS 251-358-1
  • CAS No. 33045-52-2
  • Article Data11
  • CAS DataBase
  • Density 1.36 g/cm3
  • Solubility
  • Melting Point 175-177 °C(lit.)
  • Formula C9H11NO5S
  • Boiling Point 439.8 °C at 760 mmHg
  • Molecular Weight 245.256
  • Flash Point 219.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 33045-52-2 (Methyl 2-methoxy-5-sulfamoylbenzoate)
  • Hazard Symbols IrritantXi
  • Synonyms o-Anisicacid, 5-sulfamoyl-, methyl ester (8CI);4-Methoxy-3-(methoxycarbonyl)benzenesulfonamide;Methyl2-methoxy-5-sulfamoylbenzoate;Methyl 5-(aminosulfonyl)-2-methoxybenzoate;Methyl 5-sulfamoyl-2-methoxybenzoate;benzoic acid, 5-(aminosulfonyl)-2-methoxy-, methyl ester;Methyl-2-methoxy-5-sulfamoylbenzolcarboxylate;Methyl 2-methoxy-5-aminosulfonylbenzoate;
  • PSA 104.07000
  • LogP 1.91030

Synthetic route

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

Conditions
ConditionsYield
With sodium sulfamate; copper(I) bromide In tetrahydrofuran at 50℃; for 10h; Temperature; Reflux;96.55%
With sodium aminosulfinate; copper(I) bromide In tetrahydrofuran at 40℃; for 18h; Concentration; Temperature;96.55%
With sodium aminosulfinate; copper(l) chloride In tetrahydrofuran at 40℃; for 8h; Temperature;96.55%
methanol
67-56-1

methanol

3-cyano-4-methoxybenzenesulfonamide
22117-84-6

3-cyano-4-methoxybenzenesulfonamide

methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

Conditions
ConditionsYield
With hydrogenchloride at 40℃; for 6h; Time;88.6%
methanol
67-56-1

methanol

2-methoxy-5-sulfamoylbenzoic acid
22117-85-7

2-methoxy-5-sulfamoylbenzoic acid

methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

Conditions
ConditionsYield
With hydrogenchloride
methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

2-methoxy-5-sulfamoylbenzoic acid
22117-85-7

2-methoxy-5-sulfamoylbenzoic acid

Conditions
ConditionsYield
With sodium hydroxide In methanol98.3%
Stage #1: methyl 2-methoxy-5-sulfamoyl-benzoate With sodium hydroxide; water In methanol at 20℃; for 1h;
Stage #2: With hydrogenchloride In methanol; water		98.3%
Stage #1: methyl 2-methoxy-5-sulfamoyl-benzoate With sodium hydroxide; water In methanol at 20℃; for 1h;
Stage #2: With hydrogenchloride In methanol; water		98.3%
ethanol
64-17-5

ethanol

methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

2-methoxy-5-sulfamoylbenzoic acid ethyl ester
33045-53-3

2-methoxy-5-sulfamoylbenzoic acid ethyl ester

Conditions
ConditionsYield
With sulfuric acid for 12h; Heating;98%
methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

(S)-2-(Aminomethyl)-1-ethylpyrrolidine
22795-99-9

(S)-2-(Aminomethyl)-1-ethylpyrrolidine

(S)-(-)-sulpiride
15676-16-1, 23672-06-2, 23672-07-3, 23756-79-8

(S)-(-)-sulpiride

Conditions
ConditionsYield
at 90 - 100℃; for 5h; Inert atmosphere;93.8%
With hydrogenchloride In water; butan-1-ol75%
1-ethyl-2-pyrrolidinemethanamine
26116-12-1

1-ethyl-2-pyrrolidinemethanamine

methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide
15676-16-1

N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide

Conditions
ConditionsYield
In glycerol at 90 - 95℃; for 10h; Inert atmosphere;88.4%
In ethylene glycol at 90 - 100℃; Solvent; Inert atmosphere;85.1%
at 100℃; for 3h;75%
methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

acetic anhydride
108-24-7

acetic anhydride

methyl 5-(N-acetylsulfamoyl)-2-methoxybenzoate

methyl 5-(N-acetylsulfamoyl)-2-methoxybenzoate

Conditions
ConditionsYield
With zinc(II) chloride at 20℃;77%
aminolupinane
2346-98-7, 10248-19-8, 15527-89-6, 22342-32-1, 46000-58-2, 75532-84-2, 145842-67-7

aminolupinane

methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

2-Methoxy-N-[(1S,9aR)-1-(octahydro-quinolizin-1-yl)methyl]-5-sulfamoyl-benzamide

2-Methoxy-N-[(1S,9aR)-1-(octahydro-quinolizin-1-yl)methyl]-5-sulfamoyl-benzamide

Conditions
ConditionsYield
In methanol at 110℃; for 20h;74.4%
methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

homo-Lupinylamine

homo-Lupinylamine

5-Aminosulfonyl-2-methoxy-N-[2-(1α-quinolizidinyl)ethyl]-benzamide

5-Aminosulfonyl-2-methoxy-N-[2-(1α-quinolizidinyl)ethyl]-benzamide

Conditions
ConditionsYield
In methanol at 110℃; for 24h;64%
3-(3,4-dichlorobenzylthio)thiophene-2-carboxylic acid
251096-84-1

3-(3,4-dichlorobenzylthio)thiophene-2-carboxylic acid

methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

methyl 5-(N-(3-(3,4-dichlorobenzylthio)thiophene-2-carbonyl)sulfamoyl)-2-methoxybenzoate
1336982-58-1

methyl 5-(N-(3-(3,4-dichlorobenzylthio)thiophene-2-carbonyl)sulfamoyl)-2-methoxybenzoate

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 25℃; for 6h; Inert atmosphere;23%
methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

(+/-)-epilupinamine
2346-98-7, 10248-19-8, 15527-89-6, 22342-32-1, 46000-58-2, 75532-84-2, 145842-67-7

(+/-)-epilupinamine

5-Aminosulfonyl-N-(1-epi-lupinyl)-2-methoxybenzamide

5-Aminosulfonyl-N-(1-epi-lupinyl)-2-methoxybenzamide

Conditions
ConditionsYield
In methanol at 110℃; for 24h; Yield given;
methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

N-benzyl-5-(aminosulfonyl)-2-methoxybenzamide
113681-63-3

N-benzyl-5-(aminosulfonyl)-2-methoxybenzamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 98 percent / H2SO4 / 12 h / Heating
2: 5 percent / sodium methoxide / 5 h / 100 °C
View Scheme
methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

N-(1-methyl-4-piperidinyl)-5-(aminosulfonyl)-2-methoxybenzamide
113681-64-4

N-(1-methyl-4-piperidinyl)-5-(aminosulfonyl)-2-methoxybenzamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 98 percent / H2SO4 / 12 h / Heating
2: 54 percent / NaH / 1.) 100 deg C, 5 h; 2.) 120-130 deg C, 6 h
View Scheme
1-cyclopentyl 2-aminomethyl pyrrolidine

1-cyclopentyl 2-aminomethyl pyrrolidine

methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

benzamide
55-21-0

benzamide

Conditions
ConditionsYield
In water; ethylene glycol; acetic acid
methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

3-(Hydroxymethyl)-4-methoxybenzenesulfonamide
900165-91-5

3-(Hydroxymethyl)-4-methoxybenzenesulfonamide

Conditions
ConditionsYield
With lithium borohydride In tetrahydrofuran; methanol at 20℃; for 8h;
methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

dimethyl 2-(2-(N-acetylsulfamoyl)-5-methoxy-4-(methoxycarbonyl)phenyl)malonate

dimethyl 2-(2-(N-acetylsulfamoyl)-5-methoxy-4-(methoxycarbonyl)phenyl)malonate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: zinc(II) chloride / 20 °C
2: silver(I) acetate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer / 1,2-dichloro-ethane / 5 h / 60 °C / Sealed tube
View Scheme

Methyl 2-methoxy-5-sulfamoylbenzoate Specification

The Methyl 2-methoxy-5-sulfamoylbenzoate, with the CAS registry number 33045-52-2 and EINECS registry number 251-358-1, is also known as Methyl 5-(Aminosulfonyl)-2-methoxybenzoate. It belongs to the following product categories: Fine chemical & intermediates; Organic Building Blocks; Sulfonamides/Sulfinamides; Sulfur Compounds. And the molecular formula of this chemical is C9H11NO5S. What's more, it is usually used as intermediate of sulpiride.

The physical properties of Methyl 2-methoxy-5-sulfamoylbenzoate are as following: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 2.3; (6)ACD/BCF (pH 7.4): 2.29; (7)ACD/KOC (pH 5.5): 63.1; (8)ACD/KOC (pH 7.4): 62.92; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 81.29 ?2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 56.66 cm3; (15)Molar Volume: 180.2 cm3; (16)Polarizability: 22.46 10-24cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 219.8 °C; (20)Enthalpy of Vaporization: 69.68 kJ/mol; (21)Boiling Point: 439.8 °C at 760 mmHg; (22)Vapour Pressure: 6.2E-08 mmHg at 25°C.

Uses of Methyl 2-methoxy-5-sulfamoylbenzoate: It can react with ethanol to produce ethyl 5-sulfamoyl-o-anisate. This reaction will need reagent H2SO4. The reaction time is 12 hours with heating, and the yield is about 98%.

Methyl 2-methoxy-5-sulfamoylbenzoate can react with ethanol to produce ethyl 5-sulfamoyl-o-anisate

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(OC)c(C(=O)OC)c1)N
(2)InChI: InChI=1/C9H11NO5S/c1-14-8-4-3-6(16(10,12)13)5-7(8)9(11)15-2/h3-5H,1-2H3,(H2,10,12,13)
(3)InChIKey: MKDYDRQLKPGNNU-UHFFFAOYAY

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