Methyl 4-[(2-chlorophenoxy)methyl]benzoate

Base Information

• Chemical Name: Methyl 4-[(2-chlorophenoxy)methyl]benzoate
• CAS No.: 406470-63-1
• Molecular Formula: C₁₅H₁₃ClO₃
• Molecular Weight: 276.719
• DSSTox Substance ID: DTXSID001266330
• Mol file: 406470-63-1.mol

Synonyms:Methyl 4-[(2-chlorophenoxy)methyl]benzoate;406470-63-1;Methyl 4-((2-chlorophenoxy)methyl)benzoate;4-(2-Chloro-phenoxymethyl)-benzoic acid methyl ester;DTXSID001266330;BBL037815;MFCD01893323;STK298448;AKOS000304245;Methyl4-((2-chlorophenoxy)methyl)benzoate;CS-0301912;Methyl 4-[(2-chlorophenoxy)methyl]benzoate #;EN300-227838;F83562;Benzoic acid, 4-(2-chlorophenoxymethyl)-, methyl ester

Chemical Property of Methyl 4-[(2-chlorophenoxy)methyl]benzoate

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 276.0553220
• Heavy Atom Count: 19
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-((2-chlorophenoxy)methyl)benzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2Cl

Technology Process of Methyl 4-[(2-chlorophenoxy)methyl]benzoate

There total 2 articles about Methyl 4-[(2-chlorophenoxy)methyl]benzoate 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: 98.0%

Methyl 4-(bromomethyl)benzoate (2417-72-3) + 2-monochlorophenol (95-57-8) → methyl 4-((2-chlorophenoxy)methyl)benzoate (406470-63-1)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 65 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.ejmech.2018.09.003

Reference yield:

2-monochlorophenol (95-57-8) + 4-(methoxycarbonyl)benzyl alcohol (6908-41-4,58590-49-1) → methyl 4-((2-chlorophenoxy)methyl)benzoate (406470-63-1)

Guidance literature:

With tributylphosphine; diamide; In benzene; at 0 ℃; for 0.25h; Inert atmosphere;

2-monochlorophenol; 4-(methoxycarbonyl)benzyl alcohol; In benzene; at 0 - 23 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jo300400q

Reference yield: 95.0%

methyl 4-((2-chlorophenoxy)methyl)benzoate (406470-63-1) → 4-((2-chlorophenoxy)methyl)benzoic acid (149288-38-0)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In tetrahydrofuran; methanol; for 3h; Reflux;

DOI:10.1016/j.ejmech.2018.09.003

upstream raw materials:

2-monochlorophenol

4-(methoxycarbonyl)benzyl alcohol

Methyl 4-(bromomethyl)benzoate

Downstream raw materials:

allyl (4-((2-chlorophenoxy)methyl)phenyl)carbamate

4-((2-chlorophenoxy)methyl)benzoic acid