1,3-Propanedione, 1,3-bis[4-(1-methylethyl)phenyl]-

Base Information

• Chemical Name: 1,3-Propanedione, 1,3-bis[4-(1-methylethyl)phenyl]-
• CAS No.: 63250-26-0
• Molecular Formula: C21H24O2
• Molecular Weight: 308.42
• DSSTox Substance ID: DTXSID40432028
• Nikkaji Number: J2.689.813G
• Wikidata: Q82246092

Synonyms:63250-26-0;1,3-Propanedione, 1,3-bis[4-(1-methylethyl)phenyl]-;1,3-Bis(4-isopropylphenyl)propane-1,3-dione;SCHEMBL269939;DTXSID40432028;1,3-bis(4-isopropylphenyl)-1,3-propanedione

Chemical Property of 1,3-Propanedione, 1,3-bis[4-(1-methylethyl)phenyl]-

Chemical Property:

• PSA: 34.14000
• LogP: 5.38910
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 308.177630004
• Heavy Atom Count: 23
• Complexity: 356

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)C(C)C

Technology Process of 1,3-Propanedione, 1,3-bis[4-(1-methylethyl)phenyl]-

There total 3 articles about 1,3-Propanedione, 1,3-bis[4-(1-methylethyl)phenyl]- 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: 49.0%

p-isopropylbenzoic acid methyl ester (20185-55-1) + 4-isopropylacetophenone (645-13-6) → 4,4'-diisopropyldibenzoylmethane (63250-26-0)

Guidance literature:

p-isopropylbenzoic acid methyl ester; 4-isopropylacetophenone; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 25 ℃; for 24.5h;

With hydrogenchloride; In tetrahydrofuran; water; mineral oil; Cooling with ice;

DOI:10.1016/j.tetlet.2012.05.122

Reference yield:

4-isopropylacetophenone (645-13-6) → p-isopropylbenzoic acid methyl ester (20185-55-1) + 4,4'-diisopropyldibenzoylmethane (63250-26-0)

Guidance literature:

Reference yield:

→ 4,4'-diisopropyldibenzoylmethane (63250-26-0)

Guidance literature:

4-Isopropyl-acetophenon, 4-Isopropyl-benzoesaeure-methylester, NaNH2;

upstream raw materials:

4-isopropylacetophenone

p-isopropylbenzoic acid methyl ester

Downstream raw materials:

bis(4-isopropylbenzoyl)methanatoboron difluoride

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