3,3'-[1,4-Phenylenebis(methylene)]di(pentane-2,4-dione)

Base Information

• Chemical Name: 3,3'-[1,4-Phenylenebis(methylene)]di(pentane-2,4-dione)
• CAS No.: 4110-58-1
• Molecular Formula: C₁₈H₂₂O₄
• Molecular Weight: 302.37
• NSC Number: 162741
• DSSTox Substance ID: DTXSID70303853
• Wikidata: Q82049337
• Mol file: 4110-58-1.mol

Synonyms:4110-58-1;NSC162741;SCHEMBL9317096;DTXSID70303853;NSC813170;AKOS024275106;NSC-162741;NSC-813170;SR-01000241392;SR-01000241392-1;3,3'-(p-Phenylenedimethylene)bis(propane-2,4-dione);3,3'-[1,4-Phenylenebis(methylene)]di(pentane-2,4-dione);3-(4-(2-ACETYL-3-OXO-BUTYL)-BENZYL)-PENTANE-2,4-DIONE

Chemical Property of 3,3'-[1,4-Phenylenebis(methylene)]di(pentane-2,4-dione)

Chemical Property:

• Boiling Point: 431.5°Cat760mmHg
• Flash Point: 184.4°C
• Density: 1.094g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 302.15180918
• Heavy Atom Count: 22
• Complexity: 374

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(CC1=CC=C(C=C1)CC(C(=O)C)C(=O)C)C(=O)C

Technology Process of 3,3'-[1,4-Phenylenebis(methylene)]di(pentane-2,4-dione)

There total 1 articles about 3,3'-[1,4-Phenylenebis(methylene)]di(pentane-2,4-dione) 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:

1,4-bis(bromomethyl)benzene (623-24-5) + acetylacetone (123-54-6,81235-32-7) → α,α,α',α'-tetracetyl-p-xylene (4110-58-1)

Guidance literature:

With potassium tert-butylate;

DOI:10.1021/ja01510a029

Reference yield: 63.0%

α,α,α',α'-tetracetyl-p-xylene (4110-58-1) → α,α′-bis(3,5-dimethylpyrazol-4-yl)-p-xylene (5027-34-9)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h; Heating;

DOI:10.1080/00397910500446845

upstream raw materials:

1,4-bis(bromomethyl)benzene

acetylacetone

Downstream raw materials:

α,α′-bis(3,5-dimethylpyrazol-4-yl)-p-xylene

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