4-Oxocyclohexane-1,1-dicarboxylic acid

Base Information

Chemical Name:4-Oxocyclohexane-1,1-dicarboxylic acid
CAS No.:58230-12-9
Molecular Formula:C8H10O5
Molecular Weight:186.164
Hs Code.:2918300090
DSSTox Substance ID:DTXSID70529374
Wikidata:Q82399758
Mol file:58230-12-9.mol

Synonyms:4-Oxocyclohexane-1,1-dicarboxylic acid;58230-12-9;MFCD12963756;cyclohexanone-4,4-dicarboxylic acid;SCHEMBL10996234;AMY6169;DTXSID70529374;NHOAIPRHGSAFDL-UHFFFAOYSA-N;4-Oxocyclohexane-1,1-dicarboxylicacid;4-Oxocyclohexane-1,1-dicarboxylic'acid;PS-17827;SY322725;CS-0069578;E80003

Suppliers and Price of 4-Oxocyclohexane-1,1-dicarboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Matrix Scientific
4-Oxocyclohexane-1,1-dicarboxylic acid 97%
1g
$ 524.00

Crysdot
4-Oxocyclohexane-1,1-dicarboxylicacid 95+%
1g
$ 363.00

Atlantic Research Chemicals
4-Oxocyclohexane-1,1-dicarboxylicacid 95%
1gm:
$ 328.71

Total 6 raw suppliers

Chemical Property of 4-Oxocyclohexane-1,1-dicarboxylic acid

Chemical Property:

Melting Point:147.5-149.5 °C
Boiling Point:452.3±45.0 °C(Predicted)
PKA:1.75±0.20(Predicted)
PSA：91.67000
Density:1.478±0.06 g/cm3(Predicted)
LogP:0.28510
XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:186.05282342
Heavy Atom Count:13
Complexity:242

Purity/Quality:

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

4-Oxocyclohexane-1,1-dicarboxylic acid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(CCC1=O)(C(=O)O)C(=O)O

Technology Process of 4-Oxocyclohexane-1,1-dicarboxylic acid

There total 6 articles about 4-Oxocyclohexane-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: 75.0%

: 55704-60-4
4-oxo-cyclohexane-1,1-dicarboxylic acid diethyl ester

: 58230-12-9
cyclohexanone-4,4-dicarboxylic acid

Guidance literature:: With sodium hydroxide; In benzene; for 20h; Ambient temperature;

Reference yield:

: 92454-00-7
pentane-1,3,3,5-tetracarboxylic acid-3,3-diethyl ester

: 58230-12-9
cyclohexanone-4,4-dicarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / pyridine / acetic anhydride / 3 h / Heating

2: 75 percent / aq. NaOH / benzene / 20 h / Ambient temperature

With pyridine; sodium hydroxide; In acetic anhydride; benzene;

Reference yield:

: 6297-36-5
1,3,3,5-pentanetetracarboxylic acid tetraethyl ester

: 58230-12-9
cyclohexanone-4,4-dicarboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 70 percent / Na, H₂O, EtOH / 24 h / Ambient temperature

2: 92 percent / pyridine / acetic anhydride / 3 h / Heating

3: 75 percent / aq. NaOH / benzene / 20 h / Ambient temperature

With pyridine; sodium hydroxide; ethanol; water; sodium; In acetic anhydride; benzene;