Methyl 2-chloro-4-morpholin-4-ylbenzoate

Base Information

• Chemical Name: Methyl 2-chloro-4-morpholin-4-ylbenzoate
• CAS No.: 175153-39-6
• Molecular Formula: C12H14ClNO3
• Molecular Weight: 255.701
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40391520
• Wikidata: Q82189026
• Mol file: 175153-39-6.mol

Synonyms:175153-39-6;methyl 2-chloro-4-morpholin-4-ylbenzoate;Methyl 2-chloro-4-morpholinobenzenecarboxylate;Methyl 2-chloro-4-morpholinobenzoate;methyl 2-chloro-4-(morpholin-4-yl)benzoate;Oprea1_218672;SCHEMBL2086265;DTXSID40391520;YUNVILNVPWWADK-UHFFFAOYSA-N;Methyl2-chloro-4-morpholinobenzoate;MFCD03012873;AKOS005069804;FT-0769060;1T-1484;J-521984;2-chloro-4-morpholin-4-yl-benzoic acid methyl ester

Chemical Property of Methyl 2-chloro-4-morpholin-4-ylbenzoate

Chemical Property:

• Melting Point: 96-99°
• PSA: 44.12000
• LogP: 2.31230
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 255.0662210
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 2-chloro-4-morpholin-4-ylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C(C=C1)N2CCOCC2)Cl

Technology Process of Methyl 2-chloro-4-morpholin-4-ylbenzoate

There total 3 articles about Methyl 2-chloro-4-morpholin-4-ylbenzoate 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: 78.0%

morpholine (110-91-8,99108-56-2) + methyl 2-chloro-4-fluorobenzoate (85953-29-3) → 2-chloro-4-(morpholin-4-yl)benzoic acid methyl ester (175153-39-6)

Guidance literature:

With potassium carbonate; In 1-methyl-pyrrolidin-2-one; at 120 ℃; for 5h;

DOI:10.1021/jm000108p

Reference yield:

methanol (67-56-1) + C11H11ClF3NO4S + carbon monoxide (201230-82-2) → 2-chloro-4-(morpholin-4-yl)benzoic acid methyl ester (175153-39-6)

Guidance literature:

Reference yield:

→ 2-chloro-4-(morpholin-4-yl)benzoic acid methyl ester (175153-39-6)

Guidance literature:

upstream raw materials:

morpholine

methyl 2-chloro-4-fluorobenzoate

methanol

carbon monoxide

Downstream raw materials:

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

2-chloro-4-morpholin-4-yl-benzoyl chloride

Refernces

• 1、 -. "DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES". Page 177. . Retrieved 2008/06/13.
• 2、 -. "Benzoheterocyclic derivatives". Page column 117. . Retrieved 2010/01/21.