3-Methyl-5-isopropyl-4-carbethoxy-2-cyclohexene-1-one

Base Information

Chemical Name:3-Methyl-5-isopropyl-4-carbethoxy-2-cyclohexene-1-one
CAS No.:24079-95-6
Molecular Formula:C13H20 O3
Molecular Weight:224.3
Hs Code.:2918300090
European Community (EC) Number:246-010-0
NSC Number:10159
DSSTox Substance ID:DTXSID60885254
Nikkaji Number:J242.729J
Mol file:24079-95-6.mol

Synonyms:24079-95-6;3-Methyl-5-isopropyl-4-carbethoxy-2-cyclohexene-1-one;ethyl 2-methyl-4-oxo-6-propan-2-ylcyclohex-2-ene-1-carboxylate;Ethyl 6-(isopropyl)-2-methyl-4-oxocyclohex-2-ene-1-carboxylate;ethyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate;EINECS 246-010-0;2-Cyclohexene-1-carboxylic acid, 2-methyl-6-(1-methylethyl)-4-oxo-, ethyl ester;MFCD00482052;NSC 10159;m-Menth-6-ene-2-carboxylic acid, 5-oxo-, ethyl ester;Ethyl 6-Isopropyl-2-methyl-4-oxo-2-cyclohexenecarboxylate;AI3-06533;ETHYL 6-ISOPROPYL-2-METHYL-4-OXOCYCLOHEX-2-ENE-1-CARBOXYLATE;DTXSID60885254;NSC10159;BBL009813;NSC-10159;STK801273;AKOS005608371;SY263205;VS-02196;CS-0151644;m-Menth-6-ene-2-carboxylic acid, ethyl ester;F53347;A934624;SR-01000254204;SR-01000254204-1;ETHYL6-ISOPROPYL-2-METHYL-4-OXOCYCLOHEX-2-ENE-1-CARBOXYLATE;2-Cyclohexene-1-carboxylic acid, 2-methyl-6-(1-methylethyl)-4-oxo-,ethyl ester;2-Methyl-6-(1-methylethyl)-4-oxo-2-cyclohexene-1-carboxylic acid ethyl ester

Suppliers and Price of 3-Methyl-5-isopropyl-4-carbethoxy-2-cyclohexene-1-one

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
ETHYL 2-METHYL-4-OXO-6-(PROPAN-2-YL)CYCLOHEX-2-ENE-1-CARBOXYLATE 95.00%
5MG
$ 499.19

AK Scientific
3-Methyl-5-isopropyl-4-carbethoxy-2-cyclohexene-1-one
5g
$ 1275.00

Activate Scientific
Ethyl6-isopropyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate 95%
1 g
$ 71.00

Total 8 raw suppliers

Chemical Property of 3-Methyl-5-isopropyl-4-carbethoxy-2-cyclohexene-1-one

Chemical Property:

Vapor Pressure:0.000685mmHg at 25°C
Boiling Point:308.3°Cat760mmHg
Flash Point:131.5°C
PSA：43.37000
Density:1.017g/cm³
LogP:2.35700
Storage Temp.:2-8°C
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:224.14124450
Heavy Atom Count:16
Complexity:315

Purity/Quality:

99% ^*data from raw suppliers

ETHYL 2-METHYL-4-OXO-6-(PROPAN-2-YL)CYCLOHEX-2-ENE-1-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Methyl-5-isopropyl-4-carbethoxy-2-cyclohexene-1-one

There total 7 articles about 3-Methyl-5-isopropyl-4-carbethoxy-2-cyclohexene-1-one 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: 93.0%

: 141-97-9
ethyl acetoacetate

: 78-84-2
isobutyraldehyde

: 24079-95-6
2-Methyl-6-(1-methylethyl)-4-oxo-2-cyclohexen-1-carbonsaeure-ethylester

Guidance literature:: With potassium tert-butylate; In tert-butyl alcohol; at 80 ℃; for 12h;
DOI:10.1016/j.tetlet.2017.04.090

Reference yield:

: 141-97-9
ethyl acetoacetate

: 24079-95-6
2-Methyl-6-(1-methylethyl)-4-oxo-2-cyclohexen-1-carbonsaeure-ethylester

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / 30 - 50 °C

2: 130 °C

With potassium carbonate;
DOI:10.1007/s11172-015-0873-y