Propanedioic acid, 2-(1-methoxyethylidene)-, 1,3-dimethyl ester

Base Information

• Chemical Name: Propanedioic acid, 2-(1-methoxyethylidene)-, 1,3-dimethyl ester
• CAS No.: 22398-15-8
• Molecular Formula: C8H12O5
• Molecular Weight: 188.18
• DSSTox Substance ID: DTXSID201173822
• Mol file: 22398-15-8.mol

Synonyms:22398-15-8;Propanedioic acid, 2-(1-methoxyethylidene)-, 1,3-dimethyl ester;SCHEMBL9794476;IISNBEQQAMZGIO-UHFFFAOYSA-N;DTXSID201173822;methyl 2-carbomethoxy-3-methoxy-2-butenoate

Chemical Property of Propanedioic acid, 2-(1-methoxyethylidene)-, 1,3-dimethyl ester

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 188.06847348
• Heavy Atom Count: 13
• Complexity: 223

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C(C(=O)OC)C(=O)OC)OC

Technology Process of Propanedioic acid, 2-(1-methoxyethylidene)-, 1,3-dimethyl ester

There total 1 articles about Propanedioic acid, 2-(1-methoxyethylidene)-, 1,3-dimethyl 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:

(R)-4-Methoxy-4,5-dihydro-pyrazole-3,3-dicarboxylic acid dimethyl ester (104286-69-3) → dimethyl 2-(1-methoxyethylidene)malonate (22398-15-8) + dimethyl (methoxymethylene)malonate (22398-14-7) + 2-(2-Methoxy-ethylidene)-malonic acid dimethyl ester (104286-71-7) + 2-Methoxy-cyclopropane-1,1-dicarboxylic acid dimethyl ester (104286-70-6)

Guidance literature:

In benzene; at 25 ℃; for 10h; Irradiation;

DOI:10.1016/S0040-4020(01)97205-9

Reference yield: 82.0%

dimethyl 2-(1-methoxyethylidene)malonate (22398-15-8) + N-(2,2-dimethoxyethyl)-4-(fluorophenyl)carboxamidine (149742-96-1) → N-[[(E)-2,2-Dimethoxy-ethylimino]-(4-fluoro-phenyl)-methyl]-acetimidic acid methyl ester + 1-(2,2-Dimethoxy-ethyl)-2-(4-fluoro-phenyl)-4-methyl-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid methyl ester

Guidance literature:

In methanol; at 110 ℃; for 1h; Mechanism;

DOI:10.1021/jo00068a058

Reference yield: 77.0%

dimethyl 2-(1-methoxyethylidene)malonate (22398-15-8) + benzamidin (618-39-3) → 2-phenyl-4-methyl-1,6-dihydro-6-oxo-5-pyrimidinecarboxylic acid methyl ester

Guidance literature:

In methanol; at 110 ℃; for 3h;

DOI:10.1021/jo00068a058

upstream raw materials:

(R)-4-Methoxy-4,5-dihydro-pyrazole-3,3-dicarboxylic acid dimethyl ester

Downstream raw materials:

2-[1-(Methyl-phenyl-amino)-ethylidene]-malonic acid dimethyl ester

methyl 3-hydroxy-5-methyl-4-isoxazolecarboxylate

3-(benzyloxy)-5-methyl-4-isoxazolecarboxylic acid

3-benzyloxy-5-methoxycarbonylmethyl-isoxazole-4-carboxylic acid methyl ester

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