(2S)-2-(4-butylphenyl)-1-(4-pentoxyphenyl)propan-1-one

Base Information

Chemical Name:(2S)-2-(4-butylphenyl)-1-(4-pentoxyphenyl)propan-1-one
CAS No.:404354-77-4
Molecular Formula:C24H32O2
Molecular Weight:352.517
Hs Code.:
DSSTox Substance ID:DTXSID801193296
Nikkaji Number:J1.629.388A

Synonyms:404354-77-4;DTXSID801193296;(2S)-2-(4-Butylphenyl)-1-[4-(pentyloxy)phenyl]-1-propanone

Suppliers and Price of (2S)-2-(4-butylphenyl)-1-(4-pentoxyphenyl)propan-1-one

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of (2S)-2-(4-butylphenyl)-1-(4-pentoxyphenyl)propan-1-one

Chemical Property:

XLogP3:7.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:11
Exact Mass:352.240230259
Heavy Atom Count:26
Complexity:376

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCOC1=CC=C(C=C1)C(=O)C(C)C2=CC=C(C=C2)CCCC
Isomeric SMILES:CCCCCOC1=CC=C(C=C1)C(=O)[C@@H](C)C2=CC=C(C=C2)CCCC

Technology Process of (2S)-2-(4-butylphenyl)-1-(4-pentoxyphenyl)propan-1-one

There total 3 articles about (2S)-2-(4-butylphenyl)-1-(4-pentoxyphenyl)propan-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:

: 2050-04-6
(pentyloxy)benzene

: (S)-2-(4-Butyl-phenyl)-propionyl chloride

: 404354-77-4
(S)-2-(4-butylphenyl)-1-(4-pentyloxyphenyl)propane-1-one

Guidance literature:: With aluminium trichloride; In carbon disulfide; at 20 ℃; for 3h;
DOI:10.1246/bcsj.74.2219

Reference yield:

: 404354-75-2
(S)-methyl 2-(4-butylphenyl)propanoate

: 404354-77-4
(S)-2-(4-butylphenyl)-1-(4-pentyloxyphenyl)propane-1-one

Guidance literature:: Multi-step reaction with 3 steps

1: 54 percent / aq. HCl / acetone / 3 h / Heating

2: SOCl₂ / 1 h / 70 °C

3: 0.291 g / AlCl₃ / CS₂ / 3 h / 20 °C

With hydrogenchloride; aluminium trichloride; thionyl chloride; In carbon disulfide; acetone; 3: Friedel-Crafts reaction;
DOI:10.1246/bcsj.74.2219

Reference yield:

: 404354-76-3
(S)-2-(4-butylphenyl)propanoic acid

: 404354-77-4
(S)-2-(4-butylphenyl)-1-(4-pentyloxyphenyl)propane-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / 1 h / 70 °C

2: 0.291 g / AlCl₃ / CS₂ / 3 h / 20 °C

With aluminium trichloride; thionyl chloride; In carbon disulfide; 2: Friedel-Crafts reaction;
DOI:10.1246/bcsj.74.2219