3',4'-Dimethoxybutyrophenone

Base Information

• Chemical Name: 3',4'-Dimethoxybutyrophenone
• CAS No.: 54419-21-5
• Molecular Formula: C12H16 O3
• Molecular Weight: 208.257
• Hs Code.: 2914509090
• European Community (EC) Number: 259-159-1
• NSC Number: 158350
• UNII: 2F4B7892UG
• DSSTox Substance ID: DTXSID70202817
• Nikkaji Number: J266.884J
• Wikidata: Q83076133
• Mol file: 54419-21-5.mol

Synonyms:3',4'-Dimethoxybutyrophenone;1-(3,4-dimethoxyphenyl)butan-1-one;54419-21-5;EINECS 259-159-1;NSC-158350;1-(3,4-Dimethoxyphenyl)-1-butanone;NSC158350;Maybridge3_004386;SCHEMBL6600362;4-Butyryl-1,2-dimethoxybenzene;DTXSID70202817;2F4B7892UG;Butyrophenone, 3',4'-dimethoxy-;HMS1443H08;MFCD00027136;AKOS009348986;NSC 158350;IDI1_015773;1-(3,4-Dimethoxy-phenyl)-butan-1-one;1-Butanone, 1-(3,4-dimethoxyphenyl)-;CS-0327020

Chemical Property of 3',4'-Dimethoxybutyrophenone

Chemical Property:

• Boiling Point: 311oC at 760 mmHg
• Flash Point: 132.9oC
• PSA: 35.53000
• Density: 1.031g/cm3
• LogP: 2.68660
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

1-(3,4-Dimethoxy-phenyl)-butan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3',4'-Dimethoxybutyrophenone

There total 11 articles about 3',4'-Dimethoxybutyrophenone 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: 97.0%

butanoic acid anhydride (106-31-0) + 1,2-dimethoxybenzene (91-16-7) → 1-(3,4-dimethoxyphenyl)butan-1-one (54419-21-5)

Guidance literature:

Hf[N(SO₂C₈F₁₇)2]4; In chlorobenzene; at 90 ℃; for 1h;

DOI:10.1016/j.tetlet.2005.02.065

Reference yield: 95.0%

1,2-dimethoxybenzene (91-16-7) + butyric acid (107-92-6) → 1-(3,4-dimethoxyphenyl)butan-1-one (54419-21-5)

Guidance literature:

With aluminum oxide; trifluoroacetic anhydride; for 0.416667h; Ambient temperature;

DOI:10.1021/jo9615413

Reference yield: 94.0%

1,2-dimethoxybenzene (91-16-7) + butyryl chloride (141-75-3) → 1-(3,4-dimethoxyphenyl)butan-1-one (54419-21-5)

Guidance literature:

Hf[N(SO₂C₈F₁₇)2]4; In chlorobenzene; at 110 ℃; for 1h;

DOI:10.1016/j.tetlet.2005.02.065

upstream raw materials:

butanoic acid anhydride

1,2-dimethoxybenzene

butyryl chloride

butyric acid

Downstream raw materials:

1,2-dimethoxy-4-butylbenzene

1-(3,4-dimethoxy-phenyl)-butan-1-ol

ethyl 5-(3,4-dimethoxyphenyl)-4-ethyl-3,5-dioxopentanoate

trans-4-(3′,4′-dimethoxyphenyl)but-3-ene