4-Methoxy-1-phenylbutan-1-one

Base Information

• Chemical Name: 4-Methoxy-1-phenylbutan-1-one
• CAS No.: 34904-87-5
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• DSSTox Substance ID: DTXSID80528696
• Nikkaji Number: J1.057.644J
• Wikidata: Q82398528
• Mol file: 34904-87-5.mol

Synonyms:4-METHOXY-1-PHENYLBUTAN-1-ONE;34904-87-5;SCHEMBL5214695;DTXSID80528696

Chemical Property of 4-Methoxy-1-phenylbutan-1-one

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 148

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCCC(=O)C1=CC=CC=C1

Technology Process of 4-Methoxy-1-phenylbutan-1-one

There total 16 articles about 4-Methoxy-1-phenylbutan-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: 89.0%

cyclopropyl phenyl ketone (3481-02-5) → 4-methoxy-1-phenyl-1-butanone (34904-87-5)

Guidance literature:

With sulfuric acid; In methanol; for 144h; Reflux;

DOI:10.1021/acs.orglett.9b02339

Reference yield: 68.0%

2-methoxy-ethanol (109-86-4,95507-80-5) + acetophenone (98-86-2) → 4-methoxy-1-phenyl-1-butanone (34904-87-5)

Guidance literature:

With C₄₁H₃₇ClN₂P₂Ru; caesium carbonate; In tert-Amyl alcohol; at 150 ℃; for 22h; Reagent/catalyst; Temperature; Solvent; Catalytic behavior; Inert atmosphere; Green chemistry;

DOI:10.1002/chem.202000396

Reference yield: 61.0%

(4-methoxy-1-phenyl-1-buten-1-yl)pentamethyl phosphoric triamide (560095-70-7) → 4-methoxy-1-phenyl-1-butanone (34904-87-5)

Guidance literature:

With sulfuric acid; In benzene; for 4h; Heating;

DOI:10.1016/S0040-4020(03)00188-1

upstream raw materials:

methanol

cyclopropyl phenyl ketone

sodium methylate

Di-tert-butyl(2-Methoxyethyl)malonat

Downstream raw materials:

4-methoxy-1-phenylbutan-1-ol

(1-Chloro-4-methoxy-butyl)-benzene

C₁₁H₁₄⁽²⁾HClO

C₁₁H₁₃⁽²⁾H₂ClO

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