Methyl 3-Morpholinobenzoate

Base Information

• Chemical Name: Methyl 3-Morpholinobenzoate
• CAS No.: 145127-37-3
• Molecular Formula: C13H17 N O3
• Molecular Weight: 235.283
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60932499
• Nikkaji Number: J891.386B
• Wikidata: Q82908199
• Mol file: 145127-37-3.mol

Synonyms:Methyl 3-Morpholinobenzoate;197172-69-3;methyl 3-morpholin-4-ylbenzoate;Methyl 3-morpholin-4-yl-benzoate;3-(4-Morpholinyl)benzoic Acid Methyl Ester;METHYL 3-(MORPHOLIN-4-YL)BENZOATE;MFCD06740100;3-Morpholin-4-yl-benzoic acid methyl ester;1-(3-Carbomethoxyphenyl)morpholine;Methyl-3-(morpholino)benzoate;SCHEMBL4250883;DTXSID60932499;UZHOTUXOPYLESN-UHFFFAOYSA-N;Methyl 3-morpholinobenzoate, 97%;XHA17269;AKOS015950586;AC-7401;AS-40509;SY006050;1,1-DIETHYL-2,2-CARBOCYANINEBROMIDE;CS-0449332;FT-0715268;A911411;J-012744

Chemical Property of Methyl 3-Morpholinobenzoate

Chemical Property:

• Vapor Pressure: 9.98E-06mmHg at 25°C
• Refractive Index: 1.54
• Boiling Point: 371.9°Cat760mmHg
• Flash Point: 178.7°C
• PSA: 38.77000
• Density: 1.16g/cm³
• LogP: 1.37480
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 221.10519334
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-morpholinobenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=CC=C1)N2CCOCC2

Technology Process of Methyl 3-Morpholinobenzoate

There total 8 articles about Methyl 3-Morpholinobenzoate 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: 99.0%

morpholine (110-91-8,99108-56-2) + 3-iodobenzoic acid methyl ester (58313-23-8) → ethyl 3-(morpholin-4-yl)benzoate (145127-37-3)

Guidance literature:

With palladium diacetate; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In toluene; for 17h; Heating;

DOI:10.1021/jo049774e

Reference yield: 85.0%

morpholine (110-91-8,99108-56-2) + C18H20IO5(1+)*C2F3O2(1-) → ethyl 3-(morpholin-4-yl)benzoate (145127-37-3)

Guidance literature:

With potassium fluoride; In water; 1,2-dichloro-ethane; at 70 ℃; for 24h; Sealed tube;

DOI:10.1002/anie.201610086

Reference yield: 78.0%

→ ethyl 3-(morpholin-4-yl)benzoate (145127-37-3)

Guidance literature:

With copper(l) iodide; potassium carbonate; L-proline; In dimethyl sulfoxide; at 80 ℃; for 24h; Inert atmosphere;

upstream raw materials:

morpholine

ethyl 3-bromobenzoate

ethyl 3-fluorobenzoate

3-iodobenzoic acid methyl ester

Downstream raw materials:

3-(4-morpholinyl)benzoic acid