Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate

Base Information

• Chemical Name: Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate
• CAS No.: 80036-89-1
• Molecular Formula: C₁₁H₁₅NO₅S
• Molecular Weight: 273.31
• Hs Code.: 2922509090
• European Community (EC) Number: 616-818-1
• DSSTox Substance ID: DTXSID00512653
• Wikidata: Q72486943
• Mol file: 80036-89-1.mol

Synonyms:80036-89-1;methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate;Methyl 4-amino-5-ethylsulfonyl-2-methoxybenzoate;METHYL 4-AMINO-5-(ETHYLSULPHONYL)-2-METHOXYBENZOATE;methyl 4-amino-5-(ethanesulfonyl)-2-methoxybenzoate;MFCD07787259;2-Methoxy-4-amino-5-ethsulfonyl benzoic acid methyl ester;SCHEMBL12070949;DTXSID00512653;BCP22950;AC2435;AKOS015843676;AC-6118;PS-7264;SY042588;FT-0645038;A839813;methyl4-amino-5-(ethylsulfonyl)-2-methoxybenzoate;2-methoxyl-4-amino-5-ethylsulfonyl methyl benzoate;J-522301

Chemical Property of Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate

Chemical Property:

• Vapor Pressure: 1.07E-10mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 514.5 °C at 760 mmHg
• PKA: -2.97±0.13(Predicted)
• Flash Point: 265 °C
• PSA: 104.07000
• Density: 1.289 g/cm³
• LogP: 2.51960
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 273.06709375
• Heavy Atom Count: 18
• Complexity: 389

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-Amino-5-(ethylsulphonyl)-2-methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)OC)OC)N
• Uses: Methyl 4-amino-5-(ethylsulphonyl)-2-methoxybenzoate is a useful research chemical.

Technology Process of Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate

There total 5 articles about Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate 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: 85.07%

2-methoxy-4-acetylamino-5-ethyl sulfonylbenzoate → methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate (80036-89-1)

Guidance literature:

With sulfuric acid; In methanol; water; for 5h; Reflux;

Reference yield:

methyl 4-(acetylamino)-o-anisate (4093-29-2) → methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate (80036-89-1)

Guidance literature:

Multi-step reaction with 3 steps

1: bromine / dichloromethane / 4 h / 10 - 12 °C

2: copper(l) chloride / N,N-dimethyl-formamide / 8 h / 75 - 80 °C

3: sulfuric acid / water; methanol / 5 h / Reflux

With sulfuric acid; bromine; copper(l) chloride; In methanol; dichloromethane; water; N,N-dimethyl-formamide;

Reference yield:

Methyl 4-amino-2-methoxybenzoate (27492-84-8) → methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate (80036-89-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: bromine / ethanol / 4 h / 5 - 10 °C

2.1: disodium sulphide / ethanol; water monomer / 1 h / 5 - 10 °C

2.2: 5 h / 5 - 10 °C

3.1: hexaammonium heptamolybdate tetrahydrate; dihydrogen peroxide / ethanol / 5 h / 5 - 35 °C

With disodium sulphide; hexaammonium heptamolybdate tetrahydrate; dihydrogen peroxide; bromine; In ethanol; water monomer;

upstream raw materials:

methyl 4-(acetylamino)-o-anisate

4-Aminosalicylic acid

Methyl 4-amino-2-methoxybenzoate

methyl 4-amino-2-methoxy-5-thiocyanatobenzoate

Refernces

• 1、 -. "A halogen halide for preparing 2-methoxy-4-amino-5-b sulfuryl method of methyl benzoate". . . Retrieved 2017/02/09.