Ethyl 4-carboethoxybenzoylformate

Base Information

• Chemical Name: Ethyl 4-carboethoxybenzoylformate
• CAS No.: 102697-43-8
• Molecular Formula: C13H14O5
• Molecular Weight: 250.25
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90545253
• Nikkaji Number: J2.840.175B
• Wikidata: Q82422692
• Mol file: 102697-43-8.mol

Synonyms:Ethyl 4-carboethoxybenzoylformate;102697-43-8;ethyl 4-(2-ethoxy-2-oxoacetyl)benzoate;MFCD01319611;Ethyl 4-[ethoxy(oxo)acetyl]benzoate;Ethyl4-carboethoxybenzoylformate;DTXSID90545253;AKOS016017075;Benzeneacetic acid, 4-(ethoxycarbonyl)-alpha-oxo-, ethyl ester

Chemical Property of Ethyl 4-carboethoxybenzoylformate

Chemical Property:

• Vapor Pressure: 1.36E-05mmHg at 25°C
• Boiling Point: 367.5°C at 760 mmHg
• Flash Point: 162.2°C
• PSA: 69.67000
• Density: 1.181g/cm³
• LogP: 1.60910
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 250.08412354
• Heavy Atom Count: 18
• Complexity: 315

Purity/Quality:

90% ^*data from raw suppliers

Ethyl4-carboethoxybenzoylformate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)C(=O)OCC

Technology Process of Ethyl 4-carboethoxybenzoylformate

There total 4 articles about Ethyl 4-carboethoxybenzoylformate 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: 60.0%

4-(Ethoxycarbonyl-hydroxy-methyl)-benzoic acid ethyl ester (67592-99-8) → ethyl 2-(4-ethoxycarbonylphenyl)-2-oxoacetate (102697-43-8)

Guidance literature:

With pyridine; chromium(VI) oxide; In dichloromethane; for 0.25h;

DOI:10.1021/jo00364a009

Reference yield:

p-ethoxycarbonylbenzaldehyde (6287-86-1) → ethyl 2-(4-ethoxycarbonylphenyl)-2-oxoacetate (102697-43-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 95 percent / ZnI₂ / 0.5 h / Ambient temperature

2: 59 percent / HCl / 16 h / Ambient temperature

3: 60 percent / CrO₃, pyridine / CH₂Cl₂ / 0.25 h

With pyridine; chromium(VI) oxide; hydrogenchloride; zinc(II) iodide; In dichloromethane;

DOI:10.1021/jo00364a009

Reference yield:

4-(Cyano-trimethylsilanyloxy-methyl)-benzoic acid ethyl ester (102697-42-7) → ethyl 2-(4-ethoxycarbonylphenyl)-2-oxoacetate (102697-43-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 59 percent / HCl / 16 h / Ambient temperature

2: 60 percent / CrO₃, pyridine / CH₂Cl₂ / 0.25 h

With pyridine; chromium(VI) oxide; hydrogenchloride; In dichloromethane;

DOI:10.1021/jo00364a009

upstream raw materials:

4-(Ethoxycarbonyl-hydroxy-methyl)-benzoic acid ethyl ester

p-ethoxycarbonylbenzaldehyde

4-(Cyano-trimethylsilanyloxy-methyl)-benzoic acid ethyl ester

4-iodobenzoic acid ethyl ester

Downstream raw materials:

1-(4-ethoxycarbonylphenyl)-1,2-ethanediol

(R)-ethyl 2-hydroxy-2-(4-ethoxycarbonylphenyl)-3-nitropropanoate

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