Methyl 2-chloro-4-piperidinobenzenecarboxylate

Base Information

• Chemical Name: Methyl 2-chloro-4-piperidinobenzenecarboxylate
• CAS No.: 313674-08-7
• Molecular Formula: C13H16ClNO2
• Molecular Weight: 253.729
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30442171
• Mol file: 313674-08-7.mol

Synonyms:methyl 2-chloro-4-piperidinobenzenecarboxylate;313674-08-7;methyl 2-chloro-4-(piperidin-1-yl)benzoate;methyl 2-chloro-4-piperidin-1-ylbenzoate;DTXSID30442171;MFCD09152756;AKOS005073633;NA-0712;methyl2-chloro-4-(piperidin-1-yl)benzoate;CS-0365202;J-521978;2-chloro-4-(piperidin-1-yl)benzoic acid methyl ester

Chemical Property of Methyl 2-chloro-4-piperidinobenzenecarboxylate

Chemical Property:

• Melting Point: 37°
• PSA: 29.54000
• LogP: 3.18190
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 253.0869564
• Heavy Atom Count: 17
• Complexity: 266

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 2-chloro-4-piperidinobenzenecarboxylate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C(C=C1)N2CCCCC2)Cl

Technology Process of Methyl 2-chloro-4-piperidinobenzenecarboxylate

There total 2 articles about Methyl 2-chloro-4-piperidinobenzenecarboxylate 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: 94.0%

piperidine (110-89-4) + methyl 2-chloro-4-fluorobenzoate (85953-29-3) → 2-chloro-4-(piperidin-1-yl)benzoic acid methyl ester (313674-08-7)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; potassium carbonate; at 120 ℃; for 3h;

DOI:10.1016/j.bmc.2008.09.039

Reference yield:

→ 2-chloro-4-(piperidin-1-yl)benzoic acid methyl ester (313674-08-7)

Guidance literature:

Reference yield: 88.0%

2-chloro-4-(piperidin-1-yl)benzoic acid methyl ester (313674-08-7) → 2-chloro-4-(piperidin-1-yl)benzoic acid (313674-11-2)

Guidance literature:

2-chloro-4-(piperidin-1-yl)benzoic acid methyl ester; With sodium hydroxide; water; In methanol; for 0.75h; Reflux;

With hydrogenchloride; In methanol; water;

DOI:10.1016/j.bmc.2008.09.039

upstream raw materials:

piperidine

methyl 2-chloro-4-fluorobenzoate

Downstream raw materials:

2-chloro-4-(piperidin-1-yl)benzoic acid