2-Isovaleroylhydroquinone

Base Information

• Chemical Name: 2-Isovaleroylhydroquinone
• CAS No.: 124557-52-4
• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.23
• DSSTox Substance ID: DTXSID601260966

Synonyms:2-isovaleroylhydroquinone;SCHEMBL11134495;DTXSID601260966;124557-52-4;1-(2,5-Dihydroxyphenyl)-3-methyl-1-butanone

Chemical Property of 2-Isovaleroylhydroquinone

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Isovaleroylhydroquinone

There total 9 articles about 2-Isovaleroylhydroquinone 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:

4-methoxyphenyl 3-methylbutanoate (68983-10-8) → 1-(2,5-dihydroxy-phenyl)-3-methyl-butan-1-one (124557-52-4)

Guidance literature:

With aluminium trichloride; sodium chloride; at 180 - 200 ℃;

Reference yield:

1,4-bis-isovaleryloxy-benzene (22296-56-6) + hydroquinone (123-31-9,8027-02-9) → 1-(2,5-dihydroxy-phenyl)-3-methyl-butan-1-one (124557-52-4)

Guidance literature:

With aluminium trichloride; at 150 - 160 ℃;

DOI:10.1039/jr9380002064

Reference yield:

3-methylbutyric acid (503-74-2) + hydroquinone (123-31-9,8027-02-9) → 1-(2,5-dihydroxy-phenyl)-3-methyl-butan-1-one (124557-52-4)

Guidance literature:

With boron trifluoride;

DOI:10.1002/ardp.19552880303

upstream raw materials:

1-(2,5-dihydroxyphenyl)-3-methyl-2-buten-1-one

4-methoxyphenyl 3-methylbutanoate

3-methylbutyric acid

hydroquinone

Downstream raw materials:

1-(2,5-dihydroxy-phenyl)-3-methyl-butan-1-ol

2-isopentyl-hydroquinone

2,6-bis(3-methylbuten-2-yl)-3-isobutyl-5-anilino-4,7-indazoloquinone

2-(3,3-dimethylacryloyl)-3-isobutyl-5-anilino-4,7-indazoloquinone

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