Spiro[2.2]pentane-1-carboxylic Acid

Base Information

• Chemical Name: Spiro[2.2]pentane-1-carboxylic Acid
• CAS No.: 17202-64-1
• Molecular Formula: C6H8O2
• Molecular Weight: 112.128
• Hs Code.: 2916209090
• European Community (EC) Number: 801-934-9
• DSSTox Substance ID: DTXSID10402612
• Mol file: 17202-64-1.mol

Synonyms:Spiro[2.2]pentane-1-carboxylic Acid;17202-64-1;spiro[2.2]pentane-2-carboxylic acid;MFCD04038995;Spiro[2.2]pentanecarboxylic acid;spiro[2.2]pentane-5-carboxylic acid;SCHEMBL301224;DTXSID10402612;Spiro[2.2]pentane-1-carboxylicAcid;AKOS004115438;AKOS016843367;PB20104;AS-50461;Spiro[2.2]?pentane-?1-?carboxylic acid;SY192623;SY288296;SY292257;CS-0048700;EN300-82957;P10290

Chemical Property of Spiro[2.2]pentane-1-carboxylic Acid

Chemical Property:

• Boiling Point: 224.3±8.0 °C(Predicted)
• PKA: 4.81±0.20(Predicted)
• PSA: 37.30000
• Density: 1.30±0.1 g/cm3(Predicted)
• LogP: 0.87110
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 112.052429494
• Heavy Atom Count: 8
• Complexity: 147

Purity/Quality:

98% ^*data from raw suppliers

Spiro[2.2]pentane-1-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC12CC2C(=O)O

Technology Process of Spiro[2.2]pentane-1-carboxylic Acid

There total 2 articles about Spiro[2.2]pentane-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:

diiodomethane (75-11-6) + 2-methylene-cyclopropanecarboxylic acid ethyl ester (18941-94-1) → spiro[2.2]pentane-1-carboxylic acid (17202-64-1)

Guidance literature:

Multistep reaction; (i) Zn, Cu, (ii) aq. NaOH;

DOI:10.1021/jo01274a031

Reference yield:

→ spiro[2.2]pentane-1-carboxylic acid (17202-64-1)

Guidance literature:

Verseifung von Carbomethoxyspiropentan 5;

DOI:10.1021/ja00797a034

Reference yield: 87.0%

spiro[2.2]pentane-1-carboxylic acid (17202-64-1) + methyllithium (917-54-4) → spiropentyl methyl ketone (249563-60-8,249563-62-0)

Guidance literature:

In diethyl ether; at 20 ℃; for 1h;

DOI:10.1021/jo990654u

upstream raw materials:

diiodomethane

2-methylene-cyclopropanecarboxylic acid ethyl ester

Downstream raw materials:

spiropentyl methyl ketone

spiro[2.2]pent-1-yl-methanol