4-(Benzo[D][1,3]dioxol-5-YL)cyclohexanone

Base Information

Chemical Name:4-(Benzo[D][1,3]dioxol-5-YL)cyclohexanone
CAS No.:80912-60-3
Molecular Formula:C₁₃H₁₄O₃
Molecular Weight:218.252
Hs Code.:
DSSTox Substance ID:DTXSID80448845
Nikkaji Number:J1.206.810G
Wikidata:Q82268021

Synonyms:80912-60-3;4-(BENZO[D][1,3]DIOXOL-5-YL)CYCLOHEXANONE;AGN-PC-0ND25R;SCHEMBL2634256;DTXSID80448845;ZTNXPEAVOZZOGK-UHFFFAOYSA-N;4-benzo[1,3]dioxol-5-yl-cyclohexanone;4-(1,3-Benzodioxol-5-yl)cyclohexanone;4-(1,3-Benzodioxole-5-yl)cyclohexanone

Suppliers and Price of 4-(Benzo[D][1,3]dioxol-5-YL)cyclohexanone

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

Crysdot
4-(Benzo[d][1,3]dioxol-5-yl)cyclohexanone 95+%
1g
$ 611.00

Chemenu
4-(Benzo[d][1,3]dioxol-5-yl)cyclohexanone 95%
1g
$ 577.00

Alichem
4-(Benzo[d][1,3]dioxol-5-yl)cyclohexanone
1g
$ 1950.00

Total 3 raw suppliers

Chemical Property of 4-(Benzo[D][1,3]dioxol-5-YL)cyclohexanone

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:218.094294304
Heavy Atom Count:16
Complexity:266

Purity/Quality:: 4-(Benzo[d][1,3]dioxol-5-yl)cyclohexanone 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(=O)CCC1C2=CC3=C(C=C2)OCO3

Technology Process of 4-(Benzo[D][1,3]dioxol-5-YL)cyclohexanone

There total 10 articles about 4-(Benzo[D][1,3]dioxol-5-YL)cyclohexanone 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: 98.0%

: 82749-42-6
8-(1,3-benzodioxol-5-yl)-1,4-dioxaspiro[4.5]decane

: 80912-60-3
4-(benzo[d][1,3]dioxol-5-yl)cyclohexan-1-one

Guidance literature:: With hydrogenchloride; In acetone; at 20 ℃; for 4h;
DOI:10.1016/j.bmcl.2011.06.080

Reference yield:

: 1252615-58-9
4-(benzo[d][1,3]dioxol-5-yl)cyclohex-3-en-1-one

: 80912-60-3
4-(benzo[d][1,3]dioxol-5-yl)cyclohexan-1-one

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 5h; under 3000.3 Torr;

Reference yield:

: 2635-13-4
1,2-(methylenedioxy)-4-bromobenzene

: 80912-60-3
4-(benzo[d][1,3]dioxol-5-yl)cyclohexan-1-one

Guidance literature:: Multi-step reaction with 4 steps

1.1: n-BuLi / diethyl ether; hexane / 0.17 h / -30 °C

1.2: 80 percent / tetrahydrofuran; diethyl ether; hexane / 2 h / 20 °C

2.1: 97 percent / 1,8-diazabicyclo[5.4.0]undec-7-ene; POCl₃ / pyridine / 20 - 80 °C

3.1: H₂ / Pd/C / methanol; tetrahydrofuran / 20 h

4.1: conc. sulfuric acid / tetrahydrofuran; H₂O / 1.5 h

With n-butyllithium; sulfuric acid; hydrogen; 1,8-diazabicyclo[5.4.0]undec-7-ene; trichlorophosphate; palladium on activated charcoal; In tetrahydrofuran; pyridine; methanol; diethyl ether; hexane; water; 1.1: Metallation / 1.2: Addition / 2.1: Dehydration / 3.1: Hydrogenation / 4.1: Hydrolysis;
DOI:10.1016/S0040-4020(99)00850-9