2-[(3,4-Dimethoxyphenyl)methyl]cyclohexan-1-one

Base Information

Chemical Name:2-[(3,4-Dimethoxyphenyl)methyl]cyclohexan-1-one
CAS No.:101499-01-8
Molecular Formula:C15H20O3
Molecular Weight:248.31700
Hs Code.:
DSSTox Substance ID:DTXSID10566182

Synonyms:101499-01-8;2-[(3,4-Dimethoxyphenyl)methyl]cyclohexan-1-one;SCHEMBL7041587;DTXSID10566182;AKOS017555570

Suppliers and Price of 2-[(3,4-Dimethoxyphenyl)methyl]cyclohexan-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
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Total 1 raw suppliers

Chemical Property of 2-[(3,4-Dimethoxyphenyl)methyl]cyclohexan-1-one

Chemical Property:

Boiling Point:196-200 °C(Press: 2 Torr)
PSA：35.53000
Density:1.083±0.06 g/cm3(Predicted)
LogP:3.00560
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:248.14124450
Heavy Atom Count:18
Complexity:277

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)CC2CCCCC2=O)OC

Technology Process of 2-[(3,4-Dimethoxyphenyl)methyl]cyclohexan-1-one

There total 2 articles about 2-[(3,4-Dimethoxyphenyl)methyl]cyclohexan-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: 91.0%

: 6651-36-1
1-(Trimethylsilyloxy)cyclohexene

: 53751-40-9
veratryl acetate

: 101499-01-8
2-(3,4-dimethoxybenzyl)cyclohexanone

Guidance literature:: With bis(trifluoromethanesulfonyl)amide; In dichloromethane; at 20 ℃; for 0.333333h; Inert atmosphere;
DOI:10.1016/j.tetlet.2010.03.030

Reference yield:

: 101499-01-8
2-(3,4-dimethoxybenzyl)cyclohexanone

Guidance literature:: aus 2-Veratryliden-cyclohexanon u. H2 an Raney-Nickel;

Reference yield:

: 101499-01-8
2-(3,4-dimethoxybenzyl)cyclohexanone

: (E)-7-[7-(3,4-Dimethoxy-benzyl)-2-(4-fluoro-phenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-5-hydroxy-3-oxo-hept-6-enoic acid ethyl ester

Guidance literature:: Multi-step reaction with 6 steps

1: 1.) diisopropylamine, n-BuLi / 1.) hexane, THF, -78 deg C, 45 min, 2.) hexane, THF, RT, overnight

2: 1.) Et₃N, 2.) aq. HCl / 1.) EtOH, from RT to reflux, 2.) THF, reflux, 4 h

3: NaH / tetrahydrofuran / Ambient temperature

4: (i-Bu)2AlH / tetrahydrofuran; toluene / 0.5 h

5: MnO₂ / benzene / 2 h / Heating

6: tetrahydrofuran

With hydrogenchloride; manganese(IV) oxide; n-butyllithium; sodium hydride; diisobutylaluminium hydride; triethylamine; diisopropylamine; In tetrahydrofuran; toluene; benzene;
DOI:10.1021/jm00075a024