1-Acetylcyclopropane-1-carboxylic acid

Base Information

• Chemical Name: 1-Acetylcyclopropane-1-carboxylic acid
• CAS No.: 56172-71-5
• Molecular Formula: C6H8O3
• Molecular Weight: 128.128
• Hs Code.: 2918300090
• European Community (EC) Number: 696-498-8
• DSSTox Substance ID: DTXSID40557301
• Nikkaji Number: J3.395.064K
• Wikidata: Q82439161
• Mol file: 56172-71-5.mol

Synonyms:56172-71-5;1-acetylcyclopropanecarboxylic acid;1-acetylcyclopropane-1-carboxylic acid;Cyclopropanecarboxylic acid, 1-acetyl-;1-Acetyl-cyclopropanecarboxylic acid;MFCD11226172;1-acetyl-1-cyclopropanecarboxylic acid;SCHEMBL769660;1-acetylcyclopropanecarboxylicacid;DTXSID40557301;JIOYLBIVCRZUEQ-UHFFFAOYSA-N;AMY21205;AKOS006307220;GG-0702;1-acetyl-cyclopropane-1-carboxylic acid;1-ethanoylcyclopropane-1-carboxylic acid;SY043211;CS-0090847;1-Acetylcyclopropanecarboxylic acid, AldrichCPR;EN300-103826;F19705;A830941

Chemical Property of 1-Acetylcyclopropane-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Boiling Point: 263.072oC at 760 mmHg
• Flash Point: 127.155oC
• PSA: 54.37000
• Density: 1.346g/cm3
• LogP: 0.44020
• Storage Temp.: 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 128.047344113
• Heavy Atom Count: 9
• Complexity: 167

Purity/Quality:

98%Min ^*data from raw suppliers

1-Acetylcyclopropane-1-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1(CC1)C(=O)O

Technology Process of 1-Acetylcyclopropane-1-carboxylic acid

There total 5 articles about 1-Acetylcyclopropane-1-carboxylic 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: 98.0%

ethyl 1-acetylcyclopropanecarboxylate (32933-03-2) → 1-Acetylcyclopropane-1-carboxylic acid (56172-71-5)

Guidance literature:

With potassium hydroxide; In ethanol; at 0 ℃; for 24h;

DOI:10.1021/jo00010a019

Reference yield:

ethyl acetoacetate (141-97-9) + ethylene dibromide (106-93-4) → 1-Acetylcyclopropane-1-carboxylic acid (56172-71-5)

Guidance literature:

Reaktion ueber mehrere Stufen;

Reference yield:

1-acetylcyclopropanecarboxylic acid methyl ester (38806-09-6) → 1-Acetylcyclopropane-1-carboxylic acid (56172-71-5)

Guidance literature:

1-acetylcyclopropanecarboxylic acid methyl ester; With water; sodium hydroxide; In methanol; at 20 ℃; for 24h;

In methanol;

upstream raw materials:

ethyl acetoacetate

ethylene dibromide

ethyl 1-acetylcyclopropanecarboxylate

1-acetylcyclopropanecarboxylic acid methyl ester

Downstream raw materials:

Cyclopropyl methyl ketone

1-acetyl-N-[2-(3-chloro-5-fluorobenzyl)-4-methyl-1,3-thiazol-5-yl]cyclopropanecarboxamide

endo-spiro<1-methyl-3-phenyl-2,7-dioxabicyclo<2.2.1>heptan-5-one-6,1'-cyclopropane>

exo-spiro<1-methyl-3-phenyl-2,7-dioxabicyclo<2.2.1>heptan-5-one-6,1'-cyclopropane>