Ethyl 2-methoxy-5-sulfamoylbenzoate

Base Information

• Chemical Name: Ethyl 2-methoxy-5-sulfamoylbenzoate
• CAS No.: 33045-53-3
• Molecular Formula: C10H13NO5S
• Molecular Weight: 259.283
• Hs Code.: 2935009090
• European Community (EC) Number: 251-359-7
• UNII: Q7VF5JG8SB
• DSSTox Substance ID: DTXSID50186702
• Nikkaji Number: J76.377B
• Wikidata: Q72475765
• Mol file: 33045-53-3.mol

Synonyms:ethyl 2-methoxy-5-sulfamoylbenzoate;33045-53-3;Ethyl 5-sulphamoyl-o-anisate;C10H13NO5S;2-methoxy-5-sulfamoylbenzoic acid ethyl ester;Q7VF5JG8SB;EINECS 251-359-7;Benzoic acid, 5-(aminosulfonyl)-2-methoxy-, ethyl ester;5-Aminosulfonyl-2-methoxybenzoic acid ethyl ester;UNII-Q7VF5JG8SB;SCHEMBL10723872;DTXSID50186702;ethyl2-methoxy-5-sulfamoylbenzoate;BCP11671;MFCD01317556;ethyl 2-methoxy-5-sulfamoyl-benzoate;AKOS005216443;DS-2090;MB01797;SULPIRIDE IMPURITY C [EP IMPURITY];CS-0187403;ETHYL 2-METHOXY-5-SULFONAMIDOBENZOATE;FT-0612811;A821582;ETHYL 5-(AMINOSULFONYL)-2-METHOXYBENZOATE;W-106793

Chemical Property of Ethyl 2-methoxy-5-sulfamoylbenzoate

Chemical Property:

• Vapor Pressure: 3.63E-08mmHg at 25°C
• Melting Point: 148-151 °C
• Refractive Index: 1.535
• Boiling Point: 446.5 °C at 760 mmHg
• PKA: 9.95±0.60(Predicted)
• Flash Point: 223.8 °C
• PSA: 104.07000
• Density: 1.317 g/cm³
• LogP: 2.44150
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Sparingly), Methanol (Slightly)
• Water Solubility.: 1.545g/L at 25℃
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 259.05144369
• Heavy Atom Count: 17
• Complexity: 361

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-Methoxy-5-sulfamoylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)OC

Technology Process of Ethyl 2-methoxy-5-sulfamoylbenzoate

There total 2 articles about Ethyl 2-methoxy-5-sulfamoylbenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

ethanol (64-17-5) + methyl 2-methoxy-5-sulfamoyl-benzoate (33045-52-2) → 2-methoxy-5-sulfamoylbenzoic acid ethyl ester (33045-53-3)

Guidance literature:

With sulfuric acid; for 12h; Heating;

Reference yield:

→ 2-methoxy-5-sulfamoylbenzoic acid ethyl ester (33045-53-3)

Guidance literature:

3-Carboxy-4-methoxy-benzosulfonamid, C2H5OH;

Reference yield: 90.3%

2-methoxy-5-sulfamoylbenzoic acid ethyl ester (33045-53-3) + (S)-2-(Aminomethyl)-1-ethylpyrrolidine (22795-99-9) → (S)-(-)-sulpiride (15676-16-1,23672-06-2,23672-07-3,23756-79-8)

Guidance literature:

In isopropyl alcohol; at 80 ℃; for 36h; Solvent; Temperature;

upstream raw materials:

ethanol

methyl 2-methoxy-5-sulfamoyl-benzoate

Downstream raw materials:

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

2-Methoxy-N-(2-piperidin-1-yl-ethyl)-5-sulfamoyl-benzamide

2-Methoxy-N-(3-piperidin-1-yl-propyl)-5-sulfamoyl-benzamide

2-Methoxy-N-(3-morpholin-4-yl-propyl)-5-sulfamoyl-benzamide