4-Chloro-4'-methoxybutyrophenone

Base Information

• Chemical Name: 4-Chloro-4'-methoxybutyrophenone
• CAS No.: 40877-19-8
• Molecular Formula: C11H13ClO2
• Molecular Weight: 212.676
• European Community (EC) Number: 255-125-5
• NSC Number: 73121
• DSSTox Substance ID: DTXSID50193855
• Nikkaji Number: J267.304E
• Wikidata: Q72453107
• Mol file: 40877-19-8.mol

Synonyms:40877-19-8;4-Chloro-4'-methoxybutyrophenone;4-chloro-1-(4-methoxyphenyl)butan-1-one;EINECS 255-125-5;MFCD00018995;NSC73121;1-Butanone, 4-chloro-1-(4-methoxyphenyl)-;NCIOpen2_003784;SCHEMBL319315;DTXSID50193855;4-Chloro-4'-Methoxy Butyrophenone;gamma-Chloro-4'-methoxybutyrophenone;NSC 73121;NSC-73121;3-Chloropropyl 4-methoxyphenyl ketone;AKOS000346091;NS-02416;4-chloro-1-(4-methoxyphenyl)-1-butanone;4-chloro-1-(4-methoxy-phenyl)-butan-1-one;CS-0317865;FT-0618104;E78174;A825330

Chemical Property of 4-Chloro-4'-methoxybutyrophenone

Chemical Property:

• Appearance/Colour: off-white to grey or brownish crystalline powder
• Melting Point: 32-35 °C(lit.)
• Refractive Index: 1.4580 (estimate)
• Boiling Point: 159-163°C 2mm，343.9 °C at 760 mmHg
• Flash Point: 145.5 °C
• PSA: 26.30000
• Density: 1.123 g/cm³
• LogP: 2.89690
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 212.0604073
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-1-(4-methoxyphenyl)butan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Chloro-4'-methoxybutyrophenone

There total 6 articles about 4-Chloro-4'-methoxybutyrophenone 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: 99.0%

methoxybenzene (100-66-3) + 4-Chlorobutanoyl chloride (4635-59-0) → 4-chloro-1-(4-methoxyphenyl)butan-1-one (40877-19-8)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 - 15 ℃; for 1h; Solvent;

Reference yield: 99.0%

→ 4-chloro-1-(4-methoxyphenyl)butan-1-one (40877-19-8)

Guidance literature:

Reference yield: 66.0%

tris(4-methoxyphenyl)bismuth (33397-21-6) + 4-Chlorobutanoyl chloride (4635-59-0) → 4-chloro-1-(4-methoxyphenyl)butan-1-one (40877-19-8)

Guidance literature:

With triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; at 80 ℃; for 3h;

DOI:10.1016/j.tet.2007.10.047

upstream raw materials:

1-bromo-4-methoxy-benzene

4-Chlorobutyronitrile

methoxybenzene

4-Chlorobutanoyl chloride

Downstream raw materials:

α-(4-methoxy-phenyl)-α-(methylsulfinyl)methyl-cyclopropanemethanol

3-(4-Methoxy-phenyl)-1-phenyl-1,4,5,6-tetrahydro-pyridazine

1-Methyl-5-[3-(4-methoxybenzoyl)propyl]thio-1,2,3,4-tetrazole

3-p-Methylphenyl-3-hydroxy-N-(4'-p-methoxyphenyl-4'-oxobutyl)quinuclidinium Chloride