2-[(3-Methoxyphenyl)methyl]-propanedioic Acid 1,3-Diethyl Ester

Base Information

• Chemical Name: 2-[(3-Methoxyphenyl)methyl]-propanedioic Acid 1,3-Diethyl Ester
• CAS No.: 61227-48-3
• Molecular Formula: C15H20O5
• Molecular Weight: 280.321
• DSSTox Substance ID: DTXSID00438667
• Nikkaji Number: J656.808D
• Wikidata: Q82254477
• Mol file: 61227-48-3.mol

Synonyms:61227-48-3;Diethyl 3-Methoxybenzylmalonate;2-[(3-Methoxyphenyl)methyl]-propanedioic Acid 1,3-Diethyl Ester;Diethyl 2-[(3-methoxyphenyl)methyl]propanedioate;Diethyl 2-(3-methoxybenzyl)malonate;starbld0003712;SCHEMBL2672357;DTXSID00438667;AKOS000280719;FT-0671327;2-(3-methoxybenzyl)malonic acid diethyl ester;Diethyl [(3-methoxyphenyl)methyl]propanedioate;1,3-DIETHYL 2-[(3-METHOXYPHENYL)METHYL]PROPANEDIOATE

Chemical Property of 2-[(3-Methoxyphenyl)methyl]-propanedioic Acid 1,3-Diethyl Ester

Chemical Property:

• PSA: 61.83000
• LogP: 1.98010
• Solubility.: Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 280.13107373
• Heavy Atom Count: 20
• Complexity: 297

Purity/Quality:

99% ^*data from raw suppliers

2-[(3-Methoxyphenyl)methyl]-propanedioicAcid1,3-DiethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CC1=CC(=CC=C1)OC)C(=O)OCC
• Uses: Intermediate in the preparation of rac Enterolactone (E558950) and estrogen analogs.

Technology Process of 2-[(3-Methoxyphenyl)methyl]-propanedioic Acid 1,3-Diethyl Ester

There total 7 articles about 2-[(3-Methoxyphenyl)methyl]-propanedioic Acid 1,3-Diethyl Ester 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: 97.0%

1-bromomethyl-3-methoxybenzene (874-98-6) + diethyl malonate (105-53-3) → [(3-methoxyphenyl)methyl]propanedioic acid diethyl ester (61227-48-3)

Guidance literature:

With potassium tert-butylate;

Reference yield: 76.0%

m-methoxybenzyl chloride (824-98-6) + diethyl malonate (105-53-3) → [(3-methoxyphenyl)methyl]propanedioic acid diethyl ester (61227-48-3)

Guidance literature:

With sodium; In ethanol; for 30h; Heating;

Reference yield: 58.0%

(3-methoxy-benzylidene)-malonic acid diethyl ester (6771-54-6) → [(3-methoxyphenyl)methyl]propanedioic acid diethyl ester (61227-48-3)

Guidance literature:

With sodium tetrahydroborate; ethanol; at 0 - 25 ℃; for 1h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.0c03007

upstream raw materials:

sodium diethylmalonate

1-bromomethyl-3-methoxybenzene

diethyl malonate

m-methoxybenzyl chloride

Downstream raw materials:

2-<(3-methoxyphenyl)methyl>-1,3-propanediol

2-(3-Methoxy-benzyl)-malonic acid monoethyl ester

2-[2-(dimethylamino)ethyl]-2-(3-methoxybenzyl) malonic acid diethyl ester

[(3-methoxyphenyl)methyl]-(2-propynyl)propanedioic acid diethyl ester

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