4-(2,5-Dimethoxyphenyl)butan-2-one

Base Information

• Chemical Name: 4-(2,5-Dimethoxyphenyl)butan-2-one
• CAS No.: 81885-74-7
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID40451719
• Nikkaji Number: J1.176.651J
• Wikidata: Q82271891
• Mol file: 81885-74-7.mol

Synonyms:4-(2,5-dimethoxyphenyl)butan-2-one;81885-74-7;4-(2,5-dimethoxyphenyl)-2-Butanone;SCHEMBL11077966;DTXSID40451719;AKOS013847219;CS-0275929;FT-0739119;EN300-1845386

Chemical Property of 4-(2,5-Dimethoxyphenyl)butan-2-one

Chemical Property:

• PSA: 35.53000
• LogP: 2.22540
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• 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

4-(2,5-DIMETHOXYPHENYL)-2-BUTANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCC1=C(C=CC(=C1)OC)OC

Technology Process of 4-(2,5-Dimethoxyphenyl)butan-2-one

There total 6 articles about 4-(2,5-Dimethoxyphenyl)butan-2-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: 94.0%

4-(2,5-dimethoxyphenyl)but-3-en-2-one (100117-46-2) → 4-(2,5-dimethoxyphenyl)-2-butanone (81885-74-7)

Guidance literature:

With borane-ammonia complex; In methanol; water; at 20 ℃; for 0.5h; chemoselective reaction; Catalytic behavior;

DOI:10.1016/j.jorganchem.2021.122181

Reference yield: 91.0%

trans-1-(2,5-dimethoxyphenyl)-2-buten-3-one (118709-30-1) → 4-(2,5-dimethoxyphenyl)-2-butanone (81885-74-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 25 ℃; for 9h;

DOI:10.1021/jm00073a009

Reference yield: 89.0%

4-(2,5-dimethoxyphenyl)but-3-en-2-one (100117-46-2) + O-(tert-butyl) Se-phenyl selenocarbonate → diphenyl diselenide (1666-13-3) + 4-(2,5-dimethoxyphenyl)-2-butanone (81885-74-7)

Guidance literature:

With hydrogenchloride; water; In ethanol; at 95 ℃; for 9h; chemoselective reaction;

DOI:10.1039/d0ra07128e

upstream raw materials:

trans-1-(2,5-dimethoxyphenyl)-2-buten-3-one

2,5-dimethoxybenzaldehyde

4-(2,5-dimethoxyphenyl)but-3-en-2-one

2,5-dimethoxyphenylboronic acid

Downstream raw materials:

((5-(2,5-dimethoxyphenyl)-3-methyl-1-phenylpent-1-yn-3-yl)oxy)trimethylsilane

2-amino-3-cyano-5-(2',5'-dimethoxybenzyl)-4-methylthiophene

2-amino-3-cyano-4-<2-(2',5'-dimethoxyphenyl)ethyl>thiophene

1-chloro-4-(2,5-dimethoxyphenyl)-2-butylidenemalononitrile

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