3,3-Diphenylpentanedial

Base Information

• Chemical Name: 3,3-Diphenylpentanedial
• CAS No.: 64516-58-1
• Molecular Formula: C17H16O2
• Molecular Weight: 252.313
• DSSTox Substance ID: DTXSID70552248
• Wikidata: Q82432365
• Mol file: 64516-58-1.mol

Synonyms:3,3-Diphenylpentanedial;64516-58-1;3,3-Diphenylglutaraldehyde;SCHEMBL6544164;DTXSID70552248;PMQLXPTVUKLMJN-UHFFFAOYSA-N

Chemical Property of 3,3-Diphenylpentanedial

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 252.115029749
• Heavy Atom Count: 19
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,3-Diphenylpentanedial

There total 2 articles about 3,3-Diphenylpentanedial 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: 77.0%

3,3-Diphenylglutarsaeure-diethylester (3531-26-8) → 3,3-diphenylglutaraldehyde (64516-58-1)

Guidance literature:

With diisobutylaluminium hydride; In toluene; at -78 ℃; for 0.666667h;

DOI:10.1021/jo00231a045

Reference yield:

4,4-Diphenyl-tetrahydro-pyran-2,6-diol (64516-57-0) → 3,3-diphenylglutaraldehyde (64516-58-1)

Guidance literature:

(heating);

Reference yield: 49.0%

3,3-diphenylglutaraldehyde (64516-58-1) + N,N-dimethylethylenediamine (108-00-9) → 1,4-dihydro-N,N-dimethyl-4,4-diphenyl-1-pyridineethanamine (115932-97-3)

Guidance literature:

With molecular sieve; In chloroform; for 21h; Heating;

DOI:10.1021/jm00163a037

upstream raw materials:

3,3-Diphenylglutarsaeure-diethylester

4,4-Diphenyl-tetrahydro-pyran-2,6-diol

Downstream raw materials:

(5aR,11aS)-7,7-Diphenyl-1,3,4,6,7,11a-hexahydro-2H,5aH-dipyrido[1,2-a;1',2'-c]imidazol-11-one

(5aR,11aR)-7,7-Diphenyl-1,3,4,6,7,11a-hexahydro-2H,5aH-dipyrido[1,2-a;1',2'-c]imidazol-11-one

(2R,9R)-4,4-Diphenyl-1,7-diaza-tricyclo[7.3.1.0^2,7]tridec-5-en-8-one

(2R,9S)-4,4-Diphenyl-1,7-diaza-tricyclo[7.3.1.0^2,7]tridec-5-en-8-one