Ethyl 2-morpholinobenzoate

Base Information

• Chemical Name: Ethyl 2-morpholinobenzoate
• CAS No.: 192817-79-1
• Molecular Formula: C13H17NO3
• Molecular Weight: 235.283
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00428083
• Wikidata: Q82240861
• Mol file: 192817-79-1.mol

Synonyms:ethyl 2-morpholinobenzoate;192817-79-1;2-Morpholin-4-yl-benzoic acid ethyl ester;ethyl 2-morpholin-4-ylbenzoate;ethyl 2-(morpholin-4-yl)benzoate;Benzoic acid, 2-(4-morpholinyl)-, ethyl ester;ethyl2-morpholinobenzoate;SCHEMBL6609202;DTXSID00428083;UIVDSGDHUXOYDW-UHFFFAOYSA-N;MFCD06204497;AKOS015911169;AM803440;AS-66638;CS-0035542;FT-0733955;Benzoic acid,2-(4-morpholinyl)-,ethyl ester;2-MORPHOLIN-4-ylbenzOIC ACID ETHYL ESTER;W-206420

Chemical Property of Ethyl 2-morpholinobenzoate

Chemical Property:

• Vapor Pressure: 1.17E-05mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 369.6 °C at 760 mmHg
• Flash Point: 177.3 °C
• PSA: 38.77000
• Density: 1.135 g/cm³
• LogP: 1.76490
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 235.12084340
• Heavy Atom Count: 17
• Complexity: 251

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl2-morpholinobenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC=C1N2CCOCC2

Technology Process of Ethyl 2-morpholinobenzoate

There total 7 articles about Ethyl 2-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: 41.0%

morpholine (110-91-8,99108-56-2) + 2-fluoro-benzoic acid ethyl ester (443-26-5) → ethyl 2-(morpholin-4-yl)-benzoate (192817-79-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 24h; Heating;

DOI:10.1016/S0040-4020(97)00448-1

Reference yield: 30.0%

2-morpholin-4-yl-cyclohex-1-enecarboxylic acid ethyl ester (35244-44-1) → ethyl 2-(morpholin-4-yl)-benzoate (192817-79-1)

Guidance literature:

With 4 A molecular sieve; nitrobenzene; 10percent Pd/C; In toluene; for 6h; Heating;

DOI:10.1021/ol026184z

Reference yield:

morpholine (110-91-8,99108-56-2) + palladium-IT-acetate + 2-bromobenzoic acid ethyl ester (6091-64-1) + 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl (76144-87-1,76189-55-4,76189-56-5,136655-44-2,98327-87-8) → ethyl 2-(morpholin-4-yl)-benzoate (192817-79-1)

Guidance literature:

With caesium carbonate; In 5,5-dimethyl-1,3-cyclohexadiene;

upstream raw materials:

morpholine

2-fluoro-benzoic acid ethyl ester

2-morpholin-4-yl-cyclohex-1-enecarboxylic acid ethyl ester

2-Fluorobenzoyl chloride

Downstream raw materials:

2-(morpholin-4-yl)-benzoic acid

dimethyl 1-diazo-2-oxo-2-(2-morpholinophenyl)ethylphosphonate

[2-(2-Morpholin-4-yl-phenyl)-2-oxo-ethyl]-phosphonic acid dimethyl ester

Refernces

• 1、 -. "N-benzylbenzamide derivatives and preparation method and pharmaceutical application thereof". Paragraph 0134-0137. . Retrieved 2019/05/08.
• 2、 -. "Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions". . . Retrieved 2008/06/13.