3-Cyclobutylpropanoic acid

Base Information

• Chemical Name: 3-Cyclobutylpropanoic acid
• CAS No.: 4415-84-3
• Molecular Formula: C7H12 O2
• Molecular Weight: 128.171
• Hs Code.: 2916209090
• European Community (EC) Number: 874-689-9
• DSSTox Substance ID: DTXSID40522771
• Nikkaji Number: J814.346C
• Wikidata: Q82388341
• Mol file: 4415-84-3.mol

Synonyms:3-cyclobutylpropanoic acid;4415-84-3;Cyclobutanepropanoic acid;3-CYCLOBUTYL-PROPIONIC ACID;MFCD08061939;cyclobutanepropionic acid;3-cyclobutylpropanoicacid;SCHEMBL1009256;DTXSID40522771;VNCXJXZUMVHKNG-UHFFFAOYSA-N;AKOS000302310;AS-42790;SY132058;CS-0060765;EN300-100591

Chemical Property of 3-Cyclobutylpropanoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 1.65130
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

97% ^*data from raw suppliers

3-CyclobutylpropanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(C1)CCC(=O)O
• Uses: 3-Cyclobutylpropanoic Acid is used in preparation of substituted Oxopyridine derivatives as factor XIa and plasma kallikrein inhibitors.

Technology Process of 3-Cyclobutylpropanoic acid

There total 7 articles about 3-Cyclobutylpropanoic 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: 100.0%

2-cyclobutylmethyl malonic acid (1010422-67-9) → 3-cyclobutylpropionic acid (4415-84-3)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 110 ℃;

DOI:10.1021/op700265n

Reference yield:

ethyl 3-cyclobutyl-2-ethoxycarbonylpropionate (21782-47-8) → 3-cyclobutylpropionic acid (4415-84-3)

Guidance literature:

With potassium hydroxide; Yield given. Multistep reaction; 1) EtOH, reflux, 2) heating;

DOI:10.1016/0039-128X(83)90100-9

Reference yield:

(Bromomethyl)cyclobutane (17247-58-4) → 3-cyclobutylpropionic acid (4415-84-3)

Guidance literature:

Multi-step reaction with 2 steps

2: 1) aq. KOH / 1) EtOH, reflux, 2) heating

With potassium hydroxide;

DOI:10.1016/0039-128X(83)90100-9

upstream raw materials:

3-cyclobutylpropanenitrile

ethyl 3-cyclobutyl-2-ethoxycarbonylpropionate

(Bromomethyl)cyclobutane

cyclobutanemethanol