4-Acetyl-3,5-dioxo-1-methylcyclohexanecarboxylic acid

Base Information

Chemical Name:4-Acetyl-3,5-dioxo-1-methylcyclohexanecarboxylic acid
CAS No.:181486-37-3
Molecular Formula:C₁₀H₁₂O₅
Molecular Weight:212.202
Hs Code.:2918300090
European Community (EC) Number:634-961-8
DSSTox Substance ID:DTXSID40696542
Mol file:181486-37-3.mol

Synonyms:181486-37-3;4-Acetyl-3,5-dioxo-1-methylcyclohexanecarboxylic acid;4-acetyl-1-methyl-3,5-dioxocyclohexane-1-carboxylic acid;SCHEMBL16426789;4-acetyl-1-methyl-3,5-dioxo-1-cyclohexanecarboxylic acid;DTXSID40696542;RYKXVKLKWGINRB-UHFFFAOYSA-N;AKOS025294764;FT-0643748;A812618;4-Acetyl-1-methyl-3,5-dioxocyclohexanecarboxylic acid;4-Acetyl-1-methyl-3,5-dioxo-cyclohexanecarboxylic acid

Suppliers and Price of 4-Acetyl-3,5-dioxo-1-methylcyclohexanecarboxylic 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

American Custom Chemicals Corporation
4-ACETYL-3,5-DIOXO-1-METHYLCYCLOHEXANECARBOXYLIC ACID 95.00%
250MG
$ 727.65

AHH
4-Acetyl-3,5-dioxo-1-methylcyclohexanecarboxylicacid 98%
1g
$ 230.00

Total 7 raw suppliers

Chemical Property of 4-Acetyl-3,5-dioxo-1-methylcyclohexanecarboxylic acid

Chemical Property:

Vapor Pressure:1.32E-08mmHg at 25°C
Melting Point:95-99 °C
Refractive Index:1.553
Boiling Point:414.6°C at 760 mmHg
PKA:3.68±0.20(Predicted)
Flash Point:218.7°C
PSA：88.51000
Density:1.386g/cm³
LogP:0.21450
Storage Temp.:2-8°C
XLogP3:-0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:212.06847348
Heavy Atom Count:15
Complexity:337

Purity/Quality:

97% ^*data from raw suppliers

4-ACETYL-3,5-DIOXO-1-METHYLCYCLOHEXANECARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(=O)C1C(=O)CC(CC1=O)(C)C(=O)O

Technology Process of 4-Acetyl-3,5-dioxo-1-methylcyclohexanecarboxylic acid

There total 4 articles about 4-Acetyl-3,5-dioxo-1-methylcyclohexanecarboxylic 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:

: 181486-36-2
4-acetyl-3,5-dioxo-1-methylcyclohexane carboxylic acid methyl ester

: 181486-37-3
4-acetyl-3,5-dioxo-1-methylcyclohexane carboxylic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; methanol; water;
DOI:10.1016/S0960-894X(96)00258-2

Reference yield:

: 78640-30-9
methyl 3,5-dimethoxy-1-methylcyclohexa-2,5-diene-1-carboxylate

: 181486-37-3
4-acetyl-3,5-dioxo-1-methylcyclohexane carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 94 percent / HCl / H₂O

3: DMAP / Heating

4: LiOH / tetrahydrofuran; H₂O; methanol

With hydrogenchloride; dmap; lithium hydroxide; In tetrahydrofuran; methanol; water;
DOI:10.1016/S0960-894X(96)00258-2

Reference yield:

: 181486-34-0
3,5-dioxo-1-methylcyclohexane carboxylic acid methyl ester

: 181486-37-3
4-acetyl-3,5-dioxo-1-methylcyclohexane carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

2: DMAP / Heating

3: LiOH / tetrahydrofuran; H₂O; methanol

With dmap; lithium hydroxide; In tetrahydrofuran; methanol; water;
DOI:10.1016/S0960-894X(96)00258-2