Diethyl 2-(2-methoxybenzylidene)malonate

Base Information

• Chemical Name: Diethyl 2-(2-methoxybenzylidene)malonate
• CAS No.: 6768-22-5
• Molecular Formula: C15H18O5
• Molecular Weight: 278.305
• Hs Code.: 2918990090
• NSC Number: 637150,97646
• DSSTox Substance ID: DTXSID40294688
• Nikkaji Number: J325.003B
• ChEMBL ID: CHEMBL1486500
• Mol file: 6768-22-5.mol

Synonyms:Diethyl 2-(2-methoxybenzylidene)malonate;diethyl 2-[(2-methoxyphenyl)methylidene]propanedioate;6768-22-5;MLS000682799;SMR000312156;NSC637150;diethyl (2-methoxybenzylidene)malonate;NSC97646;Opera_ID_1648;NCIOpen2_006190;cid_263261;SCHEMBL9494896;CHEMBL1486500;BDBM79422;DTXSID40294688;HMS2596G05;diethyl o-methoxybenzylidenemalonate;NSC-97646;AKOS002134297;NSC-637150;2-o-anisylidenemalonic acid diethyl ester;Diethyl 2-(2-methoxybenzylidene)malonate #;SR-01000076618;diethyl 2-[(2-methoxyphenyl)methylene]propanedioate;SR-01000076618-1;2-[(2-methoxyphenyl)methylidene]propanedioic acid diethyl ester;1,3-DIETHYL 2-[(2-METHOXYPHENYL)METHYLIDENE]PROPANEDIOATE;Propanedioic acid, [(2-methoxyphenyl)methylene]-, diethyl ester

Chemical Property of Diethyl 2-(2-methoxybenzylidene)malonate

Chemical Property:

• Vapor Pressure: 3.45E-05mmHg at 25°C
• Melting Point: 49.5-50.5 °C
• Boiling Point: 354°C at 760 mmHg
• Flash Point: 152.9°C
• PSA: 61.83000
• Density: 1.141g/cm³
• LogP: 2.20480
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 278.11542367
• Heavy Atom Count: 20
• Complexity: 341

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=CC1=CC=CC=C1OC)C(=O)OCC

Technology Process of Diethyl 2-(2-methoxybenzylidene)malonate

There total 5 articles about Diethyl 2-(2-methoxybenzylidene)malonate 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: 81.0%

ortho-anisaldehyde (135-02-4) + diethyl malonate (105-53-3) → diethyl 2-methoxybenzylidenemalonate (6768-22-5)

Guidance literature:

With piperidine; benzoic acid; In benzene; Heating;

DOI:10.1071/CH9951707

Reference yield: 70.0%

2-methoxybenzylamine (6850-57-3) + diethyl malonate (105-53-3) → diethyl 2-methoxybenzylidenemalonate (6768-22-5)

Guidance literature:

2-methoxybenzylamine; With fluorenone imine; In toluene; at 20 ℃; for 1h;

diethyl malonate; In toluene; for 48h; Reflux; Inert atmosphere;

DOI:10.1039/c9ob02163a

Reference yield: 17.0%

ortho-anisaldehyde (135-02-4) + diethyl malonate (105-53-3) → diethyl 2-methoxybenzylidenemalonate (6768-22-5) + 2-Methoxybenzoic acid (579-75-9)

Guidance literature:

With bentonite Actisil FF; for 0.25h; Irradiation;

DOI:10.1080/00397919508011413

upstream raw materials:

piperidine

ortho-anisaldehyde

diethyl malonate

2-methoxybenzylamine

Downstream raw materials:

(S)-ethyl 2-ethoxycarbonyl-3-(3-indolyl)-3-(o-methoxylphenyl)Propanoate

3,3-dicarbethoxy-2-(2-methoxyphenyl)-7-chlorothiochroman-4-ol

3,3-dicarbethoxy-2-(2-methoxyphenyl)-7-methoxythiochroman-4-ol

6-amino-4-(2-methoxy-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyridine-3,5-dicarboxylic acid diethyl ester