Cyclopentane-1,1-dicarboxylic acid

Base Information

• Chemical Name: Cyclopentane-1,1-dicarboxylic acid
• CAS No.: 5802-65-3
• Molecular Formula: C7H10O4
• Molecular Weight: 158.154
• Hs Code.: 29172090
• NSC Number: 22076
• DSSTox Substance ID: DTXSID80901708
• Nikkaji Number: J81.095I
• Mol file: 5802-65-3.mol

Synonyms:cyclopentane-1,1-dicarboxylic acid;5802-65-3;1,1-Cyclopentanedicarboxylic acid;Cyclopentanedicarboxylic acid;MLS002638841;MFCD00029146;1,1-Cyclopentanedicarboxylicacid;NoName_846;SCHEMBL440358;DTXSID80901708;HMS3082E21;AMY20685;NSC22076;NSC-22076;AKOS016011116;DS-6415;SMR001548303;SY047782;CS-0043922;FT-0766923;A869541

Chemical Property of Cyclopentane-1,1-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 1.88E-06mmHg at 25°C
• Refractive Index: 1.542
• Boiling Point: 368.9 °C at 760 mmHg
• PKA: pK1:3.23;pK2:4.08 (25°C)
• Flash Point: 191.1 °C
• PSA: 74.60000
• Density: 1.416 g/cm³
• LogP: 0.71600
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 158.05790880
• Heavy Atom Count: 11
• Complexity: 175

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cyclopentane-1,1-dicarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 68-20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)(C(=O)O)C(=O)O

Technology Process of Cyclopentane-1,1-dicarboxylic acid

There total 1 articles about Cyclopentane-1,1-dicarboxylic 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:

2,3-dioxaspiro[4.4]nonane-1,4-dione (34867-86-2) + β-phenylethyl trichloroacetimidate (99421-73-5) → cyclopentane-1,1-dicarboxylic acid (5802-65-3) + 4-phenyl-2-(trichloromethyl)-4,5-dihydrooxazole

Guidance literature:

2,3-dioxaspiro[4.4]nonane-1,4-dione; β-phenylethyl trichloroacetimidate; With cesium iodide; In acetonitrile; Irradiation;

With hydrogenchloride; In water; acetonitrile;

DOI:10.1002/anie.202008806

Reference yield: 92.0%

cyclopentane-1,1-dicarboxylic acid (5802-65-3) → cyclopentane-1,1-dicarbonyl dichloride (53179-95-6)

Guidance literature:

With thionyl chloride; for 3h;

Reference yield: 74.0%

cyclopentane-1,1-dicarboxylic acid (5802-65-3) + 5,5-difluoro-10-mesityl-1,3,7,9-tetramethyl-5H-4λ4,5λ4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine (1308671-66-0) → C29H33BN2O4

Guidance literature:

With chloro-trimethyl-silane; In acetonitrile; at 120 ℃; for 0.5h; Microwave irradiation;

DOI:10.1002/adfm.201505051

upstream raw materials:

2,3-dioxaspiro[4.4]nonane-1,4-dione

β-phenylethyl trichloroacetimidate

Downstream raw materials:

cyclopentane-1,1-dicarboxylic acid diethyl ester

cyclopentanecarboxylic acid

cyclopentane-1,1-dicarbonyl dichloride

1-trifluoromethyl-cyclopentanecarbonyl fluoride

Refernces