4-Chloro-2',4',6'-trimethoxybutyrophenone

Base Information

• Chemical Name: 4-Chloro-2',4',6'-trimethoxybutyrophenone
• CAS No.: 80904-51-4
• Molecular Formula: C13H17 Cl O4
• Molecular Weight: 272.729
• European Community (EC) Number: 279-620-0
• DSSTox Substance ID: DTXSID301001628
• Nikkaji Number: J320.343C
• Wikidata: Q82995610
• Mol file: 80904-51-4.mol

Synonyms:80904-51-4;4-Chloro-2',4',6'-trimethoxybutyrophenone;4-chloro-1-(2,4,6-trimethoxyphenyl)butan-1-one;1-(4-chlorobutyryl)-2,4,6-trimethoxybenzene;EINECS 279-620-0;1-Butanone,4-chloro-1-(2,4,6-trimethoxyphenyl)-;4-chloro-2,4,6-trimethoxybutyrophenone;starbld0009845;SCHEMBL3909563;KXDSHDKQUXYLDB-UHFFFAOYSA-N;DTXSID301001628;THIAMINEMONOPHOSPHATECHLORIDE;WS-00604;1-(2,4,6-trimethoxybenzoyl)-3-chloropropane;D85773;4-Chloro-1-(2,4,6-trimethoxyphenyl)-1-butanone;1-(4-CHLORO BUTYRYL)-2,4,6-TRIMETHOXY BENZENE

Chemical Property of 4-Chloro-2',4',6'-trimethoxybutyrophenone

Chemical Property:

• Boiling Point: 417.1oC at 760 mmHg
• Flash Point: 168oC
• PSA: 44.76000
• Density: 1.148g/cm3
• LogP: 2.91410
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 272.0815367
• Heavy Atom Count: 18
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

1-(4-CHLOROBUTYRYL)-2,4,6-TRIMETHOXYBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)OC)C(=O)CCCCl)OC

Technology Process of 4-Chloro-2',4',6'-trimethoxybutyrophenone

There total 1 articles about 4-Chloro-2',4',6'-trimethoxybutyrophenone 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: 89.2%

1,2,3-trimethoxybenzene (621-23-8) + 4,4-dichlorobutyraldehyde (101257-10-7) → 1-(2,4,6-trimethoxybenzoyl)-3-chloropropane (80904-51-4)

Guidance literature:

With hydrogenchloride; tin(IV) chloride; In water; benzene;

Reference yield: 47.5%

hydrochloric isopropanol + 1-(2,4,6-trimethoxybenzoyl)-3-chloropropane (80904-51-4) → (-)(3S) 1-(2,4,6-trimethoxybenzoyl)-3-(3-hydroxypiperidino)propane hydrochloride (144078-97-7)

Guidance literature:

With hydrogenchloride; In toluene;

upstream raw materials:

1,2,3-trimethoxybenzene

4,4-dichlorobutyraldehyde

Downstream raw materials:

(-)(3S) 1-(2,4,6-trimethoxybenzoyl)-3-(3-hydroxypiperidino)propane hydrochloride

Refernces