1-(Ethoxycarbonyl)cyclopropanecarboxylic acid

Base Information

• Chemical Name: 1-(Ethoxycarbonyl)cyclopropanecarboxylic acid
• CAS No.: 3697-66-3
• Molecular Formula: C7H10O4
• Molecular Weight: 158.154
• Hs Code.: 2918990090
• European Community (EC) Number: 893-908-9
• DSSTox Substance ID: DTXSID501251691
• Nikkaji Number: J191.568A
• Mol file: 3697-66-3.mol

Synonyms:1-(Ethoxycarbonyl)cyclopropanecarboxylic acid;3697-66-3;1-(ethoxycarbonyl)cyclopropane-1-carboxylic acid;1,1-Cyclopropanedicarboxylic acid monoethyl ester;1-ethoxycarbonylcyclopropanecarboxylic acid;1-ethoxycarbonylcyclopropane-1-carboxylic Acid;MFCD08690114;SCHEMBL374081;AMY1786;QQUZUWSSLUHHBP-UHFFFAOYSA-N;DTXSID501251691;BCP18733;AKOS006239779;1-carboethoxycyclopropanecarboxylic acid;AB48326;CS-W000595;DS-15716;SY028392;1-(Ethoxycarbonyl)cyclopropanecarboxylicacid;FT-0696305;1-(ethoxycarbonyl)cyclopropane carboxylic acid;EN300-55506;F31334;A848076;J-503733;CYCLOPROPANE-1,1-DICARBOXYLIC ACID ETHYL ESTER;Z838154042

Chemical Property of 1-(Ethoxycarbonyl)cyclopropanecarboxylic acid

Chemical Property:

• Boiling Point: 66-69℃ (0.15 Torr)
• PKA: 3.46±0.20(Predicted)
• PSA: 63.60000
• Density: 1.339±0.06 g/cm3(Predicted)
• LogP: 0.41430
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 158.05790880
• Heavy Atom Count: 11
• Complexity: 193

Purity/Quality:

98%, ^*data from raw suppliers

1-(Ethoxycarbonyl)cyclopropanecarboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CC1)C(=O)O
• Uses: 1-(Ethoxycarbonyl)cyclopropanecarboxylic Acid is used in preparation of broad-spectrum anticancer medicine cabozantinib.

Technology Process of 1-(Ethoxycarbonyl)cyclopropanecarboxylic acid

There total 4 articles about 1-(Ethoxycarbonyl)cyclopropanecarboxylic acid 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: 94.0%

diethyl cyclopropane-1,1-dicarboxylate (1559-02-0) → 1,1-cyclopropanedicarboxylic acid monoethyl ester (3697-66-3)

Guidance literature:

diethyl cyclopropane-1,1-dicarboxylate; With sodium hydroxide; water; In ethanol; for 16h;

With hydrogenchloride; In water;

Reference yield: 82.0%

→ 1,1-cyclopropanedicarboxylic acid monoethyl ester (3697-66-3)

Guidance literature:

Reference yield:

ethanol (64-17-5) + cyclopropane-1,1-dicarbonyl peroxide (34867-88-4) → 1,1-cyclopropanedicarboxylic acid monoethyl ester (3697-66-3) + C7H10O5

Guidance literature:

With potassium acetate; at 25 ℃; for 0.25h; pH=7;

DOI:10.1016/j.mencom.2016.01.006

upstream raw materials:

diethyl cyclopropane-1,1-dicarboxylate

diethyl malonate

ethanol

cyclopropane-1,1-dicarbonyl peroxide

Downstream raw materials:

1-(4-fluoro-benzylcarbamoyl)cyclopropanecarboxylic acid ethyl ester

ethyl 1-(4-fluorophenylcarbamoyl)cyclopropanecarboxylate

foretinib

ethyl 1-(trifluoromethyl)cyclopropane-1-carboxylate