2-(Diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate

Base Information

• Chemical Name: 2-(Diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
• CAS No.: 137196-67-9
• Molecular Formula: C₁₄H₂₁ClN₂O₃
• Molecular Weight: 300.785
• DSSTox Substance ID: DTXSID90160102
• Nikkaji Number: J423.358A
• Wikidata: Q27088768
• Pharos Ligand ID: UQ47X1GKLWH7
• ChEMBL ID: CHEMBL287045
• Mol file: 137196-67-9.mol

Synonyms:2-methoxy-4-amino-5-chlorobenzoic acid 2-(diethylamino)ethyl ester;SDZ 205,557;SDZ 205-557;SDZ 205557;SDZ-205-557;SDZ-205557

Chemical Property of 2-(Diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate

Chemical Property:

• Vapor Pressure: 7.88E-08mmHg at 25°C
• Boiling Point: 436.8°Cat760mmHg
• Flash Point: 217.9°C
• PSA: 64.79000
• Density: 1.177g/cm³
• LogP: 3.81260
• Storage Temp.: Desiccate at RT
• Solubility.: DMSO: 100 mg/mL
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 300.1240702
• Heavy Atom Count: 20
• Complexity: 300

Purity/Quality:

98%min ^*data from raw suppliers

SDZ205-557 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN(CC)CCOC(=O)C1=CC(=C(C=C1OC)N)Cl
• Uses: SDZ 205-557 is a SR-3 and SR-4 antagonist. It is a salt free analogue of SDZ 205-557 Hydrochloride (S211000).

Technology Process of 2-(Diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate

There total 1 articles about 2-(Diethylamino)ethyl 4-amino-5-chloro-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: 60.0%

4-amino-5-chloro-2-methoxybenzoic acid (7206-70-4) + 2-(Diethylamino)ethanol (100-37-8) → 4-amino-5-chloro-2-methoxy-benzoic acid 2-diethylaminoethyl ester (137196-67-9)

Guidance literature:

With 1,1'-carbonyldiimidazole; In tetrahydrofuran; 1.) RT, 3 h, 2.) RT;

upstream raw materials:

4-amino-5-chloro-2-methoxybenzoic acid

2-(Diethylamino)ethanol

Refernces

• 1、 Romanelli,Ghelardini,Dei,Matucci,Mori,Scapecchi,Teodori,Bartolini,Galli,Giotti,Gualtieri. "Synthesis and biological activity of a series of aryl tropanyl esters and amides chemically related to 1H-indole-3-carboxylic acid endo 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester. Development of a 5-HT4 agonist endowed with potent antinocicepti". . p. 913 - 918. Retrieved 2007/10/02.