Methyl 4-[(4-methoxycarbonylphenyl)methyl]benzoate

Base Information

• Chemical Name: Methyl 4-[(4-methoxycarbonylphenyl)methyl]benzoate
• CAS No.: 1092-70-2
• Molecular Formula: C17H16 O4
• Molecular Weight: 284.312
• NSC Number: 86629
• DSSTox Substance ID: DTXSID40292982
• Nikkaji Number: J802.810I
• Wikidata: Q82031516
• Mol file: 1092-70-2.mol

Synonyms:1092-70-2;methyl 4-[(4-methoxycarbonylphenyl)methyl]benzoate;Diphenylmethane-4,4'-dicarboxylic acid, dimethyl ester;NSC 86629;NSC86629;NCIOpen2_004948;SCHEMBL69454;DTXSID40292982;dimethyl 4,4'-methylenedibenzoate;NSC-86629;4,4'-Methylenedibenzoic acid dimethyl ester

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

Chemical Property:

• Boiling Point: 417.5°Cat760mmHg
• Flash Point: 208.7°C
• PSA: 52.60000
• Density: 1.162g/cm³
• LogP: 2.85060
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 284.10485899
• Heavy Atom Count: 21
• Complexity: 316

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)OC

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

There total 9 articles about Methyl 4-[(4-methoxycarbonylphenyl)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: 88.0%

4-methoxycarbonylphenyl bromide (619-42-1) + potassium (4-(methyl formate)benzyl)trifluoroborate (1632070-91-7) → methyl 4-[(4-methoxycarbonylphenyl)methyl]benzoate (1092-70-2)

Guidance literature:

With (1,2-dimethoxyethane)dichloronickel(II); lithium perchlorate; potassium carbonate; 4,4'-di-tert-butyl-2,2'-bipyridine; In N,N-dimethyl-formamide; at 20 ℃; Electrochemical reaction; Inert atmosphere; Glovebox;

DOI:10.1002/anie.202014244

Reference yield: 84.0%

methyl 4-iodobenzoate (619-44-3) + 4-(methoxycarbonyl)benzyl alcohol (6908-41-4,58590-49-1) → methyl 4-[(4-methoxycarbonylphenyl)methyl]benzoate (1092-70-2)

Guidance literature:

With 2,6-dimethylpyridine; manganese; titaniumtetrachloride*2,6-dimethylpyridine adduct; C₁₄H₁₂Cl₂N₂NiO₂*2H₂O; In tetrahydrofuran; at 70 ℃; for 20h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b03367

Reference yield: 78.0%

methanol (67-56-1) + 4,4'-methylenedibenzoic acid (790-83-0) → methyl 4-[(4-methoxycarbonylphenyl)methyl]benzoate (1092-70-2)

Guidance literature:

With hydrogenchloride; for 2h; Reflux;

upstream raw materials:

methanol

oxalyl dichloride

Diphenylmethane

methyl 4-iodobenzoate

Downstream raw materials:

bis(p-methoxycarbonylphenyl)bromomethane

benzoic acid 4,4’-methylenedidihydrazide

bis-[4-(α-hydroxy-benzhydryl)-phenyl]-methane

C₂₅H₂₈O₇