4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid

Base Information

• Chemical Name: 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid
• CAS No.: 16294-60-3
• Molecular Formula: C16H14 O3
• Molecular Weight: 254.285
• Hs Code.: 2918300090
• European Community (EC) Number: 630-637-5
• NSC Number: 97287
• DSSTox Substance ID: DTXSID50294598
• Wikidata: Q82033978
• Mol file: 16294-60-3.mol

Synonyms:16294-60-3;4-(1,2-dihydroacenaphthylen-5-yl)-4-oxobutanoic acid;4-acenaphthen-5-yl-4-oxobutanoic acid;NSC97287;SCHEMBL1000864;DTXSID50294598;NSC-97287;AKOS022960240;FT-0656296;A810425;GAMMA-OXO-5-ACENAPHTHENEBUTYRIC ACID, 95 %;4-(1,2-dihydro-5-acenaphthylenyl)-4-oxobutanoic acid;4-(1,2-dihydroacenaphthylen-5-yl)-4-oxo-butanoic acid

Chemical Property of 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 6.28E-12mmHg at 25°C
• Melting Point: 210 °C (dec.)(lit.)
• Boiling Point: 526.9°Cat760mmHg
• PKA: 4.54±0.17(Predicted)
• Flash Point: 286.5°C
• PSA: 54.37000
• Density: 1.31g/cm³
• LogP: 2.98590
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 254.094294304
• Heavy Atom Count: 19
• Complexity: 376

Purity/Quality:

99% ^*data from raw suppliers

4-ACENAPHTHEN-5-YL-4-OXOBUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=C(C3=CC=CC1=C23)C(=O)CCC(=O)O

Technology Process of 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid

There total 6 articles about 4-(1,2-Dihydroacenaphthylen-5-yl)-4-oxobutanoic acid 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:

succinic acid anhydride (108-30-5) + acenaphthene (83-32-9) → 4-acenaphthen-5-yl-4-oxo-butyric acid (16294-60-3)

Guidance literature:

With aluminium trichloride; nitrobenzene;

DOI:10.1021/ja01350a030 DOI:10.1007/BF03012126

Reference yield:

succinic acid anhydride (108-30-5) + acenaphthene (83-32-9) → 4-acenaphthen-5-yl-4-oxo-butyric acid (16294-60-3) + γ-carbonyl-3-acenaphthene butyric acid (36440-49-0)

Guidance literature:

With hydrogen fluoride;

DOI:10.1021/ja01874a079

Reference yield:

acenaphthene (83-32-9) → 4-acenaphthen-5-yl-4-oxo-butyric acid (16294-60-3)

Guidance literature:

succinoylation (acc.to the method of Fieser and Peter);

upstream raw materials:

succinic acid anhydride

acenaphthene

aluminium trichloride

nitrobenzene

Downstream raw materials:

1,2,5,6,7,8-hexahydrocyclohepta[fg]acenaphthylene

1,2,3,4-benzenetetracaboxylic acid

naphthalene-1,4,5-tricarboxylic acid

4-acenaphthen-5-yl-butyric acid

Refernces

• 1、 Krishnan, Subramanian,Hites, Ronald A.. "Identification of Acephenanthrylene in Combustion Effluents". . p. 342 - 343. Retrieved 2007/10/02.
• 2、 Pitarch,Coronas,Mallol. "Chemical and pharmacologic study of a series of substituted pyridazinones". . p. 644 - 650. Retrieved 2007/10/04.