3-(4-Methoxyphenyl)-5,5-dimethyl-cyclohex-2-en-1-one

Base Information

Chemical Name:3-(4-Methoxyphenyl)-5,5-dimethyl-cyclohex-2-en-1-one
CAS No.:29339-44-4
Molecular Formula:C15H18 O2
Molecular Weight:230.307
Hs Code.:
DSSTox Substance ID:DTXSID70183576
Nikkaji Number:J2.499.134B
Wikidata:Q83054390
ChEMBL ID:CHEMBL1402557
Mol file:29339-44-4.mol

Synonyms:3-(4-Methoxyphenyl)-5,5-dimethyl-cyclohex-2-en-1-one;29339-44-4;3-(4-Methoxyphenyl)-5,5-dimethylcyclohex-2-enone;MLS002472056;CHEMBL1402557;SCHEMBL20370323;DTXSID70183576;HMS2196I21;HMS3351E15;AKOS014511516;NCGC00247357-01;SMR001395207

Suppliers and Price of 3-(4-Methoxyphenyl)-5,5-dimethyl-cyclohex-2-en-1-one

Supply Marketing:

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

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Chemical Property of 3-(4-Methoxyphenyl)-5,5-dimethyl-cyclohex-2-en-1-one

Chemical Property:

Vapor Pressure:0.000153mmHg at 25°C
Boiling Point:331.7°C at 760 mmHg
Flash Point:137°C
Density:1.042g/cm³
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:230.130679813
Heavy Atom Count:17
Complexity:320

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC(=CC(=O)C1)C2=CC=C(C=C2)OC)C

Technology Process of 3-(4-Methoxyphenyl)-5,5-dimethyl-cyclohex-2-en-1-one

There total 8 articles about 3-(4-Methoxyphenyl)-5,5-dimethyl-cyclohex-2-en-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: 95.0%

: 5720-07-0
4-methoxyphenylboronic acid

: 126-81-8
dimedone

: 29339-44-4
4'-methoxy-5,5-dimethyl-5,6-dihydro-[1,1'-biphenyl]-3(4H)-one

Guidance literature:: dimedone; With triethylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In 1,4-dioxane; at 20 ℃; for 1.5h; Inert atmosphere;

4-methoxyphenylboronic acid; With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In 1,4-dioxane; water; at 95 ℃; for 1h; Inert atmosphere;
DOI:10.1021/acs.joc.6b00317

Reference yield: 89.0%

: 15466-96-3
3-isobutoxy-5,5-dimethylcyclohex-2-en-1-one

: 13139-86-1
4-methoxyphenyl magnesium bromide

: 29339-44-4
4'-methoxy-5,5-dimethyl-5,6-dihydro-[1,1'-biphenyl]-3(4H)-one

Guidance literature:: 3-isobutoxy-5,5-dimethylcyclohex-2-en-1-one; 4-methoxyphenyl magnesium bromide; In tetrahydrofuran; at 0 - 20 ℃; for 5h; Inert atmosphere;

With hydrogenchloride; water; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;
DOI:10.1039/c9ob01373c

Reference yield: 60.0%

: 4694-17-1
5,5-dimethlycyclohex-2-en-1-one

: 4-methoxyphenylboroxine

: 29339-44-4
4'-methoxy-5,5-dimethyl-5,6-dihydro-[1,1'-biphenyl]-3(4H)-one

Guidance literature:: With sodium nitrate; trifluorormethanesulfonic acid; oxygen; palladium diacetate; In dimethylsulfoxide-d6; at 70 ℃; for 72h;
DOI:10.1021/ol400539h