2,4-(1-Keto-hexyl) phloroglucinol

Base Information

• Chemical Name: 2,4-(1-Keto-hexyl) phloroglucinol
• CAS No.: 3118-34-1
• Molecular Formula: C18H26O5
• Molecular Weight: 322.401
• ChEMBL ID: CHEMBL282274
• DSSTox Substance ID: DTXSID10576463
• Nikkaji Number: J477.914B
• Wikidata: Q27078007
• Mol file: 3118-34-1.mol

Synonyms:Hyp9;hyp 9;3118-34-1;2,4-(1-keto-hexyl) phloroglucinol;1-(3-hexanoyl-2,4,6-trihydroxyphenyl)hexan-1-one;CHEMBL282274;GTPL4101;SCHEMBL9752583;DTXSID10576463;HY-N10756;CS-0635683;Q27078007;1,1'-(2,4,6-trihydroxy-1,3-phenylene)bis-1-hexanone;1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(hexan-1-one)

Chemical Property of 2,4-(1-Keto-hexyl) phloroglucinol

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 322.17802393
• Heavy Atom Count: 23
• Complexity: 348

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCC(=O)C1=C(C(=C(C=C1O)O)C(=O)CCCCC)O

Technology Process of 2,4-(1-Keto-hexyl) phloroglucinol

There total 4 articles about 2,4-(1-Keto-hexyl) phloroglucinol 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:

3,5-dihydroxyphenol (108-73-6) + hexanoic acid (142-62-1) → 1,1'-(2,4,6-trihydroxy-1,3-phenylene)bis(hexan-1-one) (3118-34-1) + 1-(2,4,6-trihydroxyphenyl)hexan-1-one (5665-89-4)

Guidance literature:

With boron trifluoride diethyl etherate; for 24h; Heating;

DOI:10.1021/jm00085a006

Reference yield:

3,5-dihydroxyphenol (108-73-6) + Hexanoyl chloride (142-61-0) → 1,1'-(2,4,6-trihydroxy-1,3-phenylene)bis(hexan-1-one) (3118-34-1)

Guidance literature:

With aluminium trichloride; In nitrobenzene; for 72h; Yield given; Ambient temperature;

Reference yield:

3,5-dihydroxyphenol (108-73-6) + n-hexanoic anhydride (2051-49-2) → 1,1'-(2,4,6-trihydroxy-1,3-phenylene)bis(hexan-1-one) (3118-34-1)

Guidance literature:

With boron trifluoride diethyl etherate; In 1,4-dioxane; for 0.5h; Heating;

DOI:10.1038/s41429-019-0153-4

upstream raw materials:

3,5-dihydroxyphenol

Hexanoyl chloride

hexanoic acid

n-hexanoic anhydride

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