Dimetan

Base Information Edit

Chemical Name:Dimetan
CAS No.:122-15-6
Molecular Formula:C11H17 N O3
Molecular Weight:211.261
Hs Code.:2922499916
European Community (EC) Number:204-525-8
UNII:215ZV6RPXL
DSSTox Substance ID:DTXSID8041872
Nikkaji Number:J5.350C
Wikidata:Q27253523
Mol file:122-15-6.mol

Synonyms:DIMETAN;122-15-6;Geigy 19258;5,5-Dimethyl-3-oxocyclohex-1-enyl dimethylcarbamate;5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl dimethylcarbamate;(5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate;EINECS 204-525-8;UNII-215ZV6RPXL;ENT 24,728;BRN 3280184;215ZV6RPXL;AI3-24728;5,5-Dimethyldihydroresorcinol dimethylcarbamate;G 19258;5,5-Dimethyl-dihydroresorcinol-N,N-dimethylcarbamat [German];Dimethylcarbamate de 5,5-dimethyl dihydroresorcinol [French];2-Cyclohexen-1-one, 3-hydroxy-5,5-dimethyl-, dimethylcarbamate;5,5-Dimethyl-4,5-dihydro-3-resorcyl-dimethyl-carbamat [German];(5,5-Dimethyl-3-oxo-cyclohex-1-en-yl)-N,N-dimethyl-carbamaat [Dutch];(5,5-Dimethyl-3-oxo-cyclohex-1-en-yl)-N,N-dimethyl-carbamat [German];(5,5-Dimetil-3-oxo-cicloes-1-en-il)-N,N-dimetil-carbammato [Italian];Carbamic acid, dimethyl-, 5,5-dimethyl-3-oxo-1-cyclohexen-1-yl ester;5,5-Dimethyl-3-oxo-1-cyklohexenylester kyseliny dimethylkarbaminove [Czech];3-08-00-00048 (Beilstein Handbook Reference);Dimethylcarbamate de 5,5-dimethyl dihydroresorcinol;5,5-Dimethyl-dihydroresorcinol-N,N-dimethylcarbamat;5,5-Dimethyl-4,5-dihydro-3-resorcyl-dimethyl-carbamat;(5,5-Dimethyl-3-oxo-cyclohex-1-en-yl)-N,N-dimethyl-carbamat;(5,5-Dimetil-3-oxo-cicloes-1-en-il)-N,N-dimetil-carbammato;(5,5-Dimethyl-3-oxo-cyclohex-1-en-yl)-N,N-dimethyl-carbamaat;5,5-Dimethyl-3-oxo-1-cyklohexenylester kyseliny dimethylkarbaminove;Carbamic acid, dimethyl-, 5,5-dimethyl-3-oxo-1-cyclohexene-1-yl ester;Carbamic acid, dimethyl-, ester with 3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one;DIMETAN [MI];SCHEMBL119630;DTXSID8041872;GEIGY-19,258;ENT-24,728;LS-49572;G-19258;Q27253523;CARBAMIC ACID, N,N-DIMETHYL-, 5,5-DIMETHYL-3-OXO-1-CYCLOHEXEN-1-YL ESTER

Suppliers and Price of Dimetan

Supply Marketing:Edit

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
5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL DIMETHYLCARBAMATE 95.00%
5MG
$ 498.22

Total 5 raw suppliers

Chemical Property of Dimetan Edit

Chemical Property:

Vapor Pressure:0.00183mmHg at 25°C
Melting Point:45-46°
Refractive Index:1.5718 (estimate)
Boiling Point:292.5°Cat760mmHg
PKA:-1.33±0.70(Predicted)
Flash Point:130.7°C
PSA：46.61000
Density:1.09g/cm³
LogP:1.95760
Water Solubility.:29.13g/L(temperature not stated)
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:211.12084340
Heavy Atom Count:15
Complexity:316

Purity/Quality:

98%min ^*data from raw suppliers

5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL DIMETHYLCARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T
Statements: 25
Safety Statements: 36/37-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC(=CC(=O)C1)OC(=O)N(C)C)C
Uses Insecticide (aphicide).

Technology Process of Dimetan

There total 3 articles about Dimetan 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: 80.0%

: 126-81-8
dimedone

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 122-15-6
5,5-dimethyl-3-oxocyclohex-1-en-1-yl dimethylcarbamate

Guidance literature:: With tert.-butylhydroperoxide; at 80 ℃; for 2h;
DOI:10.1016/j.tetlet.2014.12.110

Reference yield: 58.0%

: 3471-13-4
dimedone

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 122-15-6
5,5-dimethyl-3-oxocyclohex-1-en-1-yl dimethylcarbamate

Guidance literature:: With tert.-butylhydroperoxide; 4,7-dimethoxy-1,10-phenanthroline; iron(II) bromide; In decane; at 60 ℃; for 4h; Inert atmosphere; Molecular sieve;
DOI:10.1080/00397911.2021.2017459