1-(3,4-Dihydroxyphenyl)pentan-1-one

Base Information

• Chemical Name: 1-(3,4-Dihydroxyphenyl)pentan-1-one
• CAS No.: 2525-01-1
• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.23
• Hs Code.: 2914501900
• DSSTox Substance ID: DTXSID70470251
• Wikidata: Q82298272
• Mol file: 2525-01-1.mol

Synonyms:1-(3,4-dihydroxyphenyl)pentan-1-one;2525-01-1;1-(3,4-DIHYDROXY-PHENYL)-PENTAN-1-ONE;SCHEMBL7309231;DTXSID70470251;CAA52501;MFCD09031813;1-(3,4-dihydroxyphenyl)-1-pentanone;AKOS006290853;1-(3, 4-dihydroxyphenyl)pentan-1-one;AS-63117;CS-0152395;C74309

Chemical Property of 1-(3,4-Dihydroxyphenyl)pentan-1-one

Chemical Property:

• PSA: 57.53000
• LogP: 2.47070
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

1-(3,4-Dihydroxyphenyl)pentan-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3,4-Dihydroxyphenyl)pentan-1-one

There total 4 articles about 1-(3,4-Dihydroxyphenyl)pentan-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:

1,2-bis-valeryloxy-benzene (153195-50-7) → 1-(3,4-dihydroxy-phenyl)-pentan-1-one (2525-01-1)

Guidance literature:

With carbon disulfide; aluminium trichloride; Erhitzen des vom Schwefelkohlenstoff befreiten Reaktionsgemisches auf 110grad bzw. auf 140grad;

DOI:10.1021/ja01268a003

Reference yield:

n-valeryl chloride (638-29-9) → 1-(3,4-dihydroxy-phenyl)-pentan-1-one (2525-01-1)

Guidance literature:

Multi-step reaction with 2 steps

2: AlCl₃; carbon disulfide / Erhitzen des vom Schwefelkohlenstoff befreiten Reaktionsgemisches auf 110grad bzw. auf 140grad

With carbon disulfide; aluminium trichloride;

DOI:10.1021/ja01268a003

Reference yield:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + n-valeryl chloride (638-29-9) → 1-(3,4-dihydroxy-phenyl)-pentan-1-one (2525-01-1)

Guidance literature:

With carbon disulfide; aluminium trichloride; Erhitzen des vom Schwefelkohlenstoff befreiten Reaktionsgemisches auf 140grad;

DOI:10.1021/ja01268a003

upstream raw materials:

1,2-bis-valeryloxy-benzene

benzene-1,2-diol

n-valeryl chloride

Downstream raw materials:

4-pentyl-pyrocatechol