4-(4-Methylphenanthren-1-yl)butanoic acid

Base Information

• Chemical Name: 4-(4-Methylphenanthren-1-yl)butanoic acid
• CAS No.: 6321-67-1
• Molecular Formula: C19H18O2
• Molecular Weight: 278.345
• NSC Number: 30827
• DSSTox Substance ID: DTXSID00283295
• Wikidata: Q82017813
• Mol file: 6321-67-1.mol

Synonyms:6321-67-1;4-(4-methylphenanthren-1-yl)butanoic acid;NSC30827;DTXSID00283295;NSC-30827

Chemical Property of 4-(4-Methylphenanthren-1-yl)butanoic acid

Chemical Property:

• Vapor Pressure: 1.03E-10mmHg at 25°C
• Boiling Point: 497.4°Cat760mmHg
• Flash Point: 393.9°C
• Density: 1.187g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 278.130679813
• Heavy Atom Count: 21
• Complexity: 365

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=C(C=C1)CCCC(=O)O)C=CC3=CC=CC=C32

Technology Process of 4-(4-Methylphenanthren-1-yl)butanoic acid

There total 2 articles about 4-(4-Methylphenanthren-1-yl)butanoic 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:

→ 4-(4-methyl-[1]phenanthryl)-butyric acid (6321-67-1)

Guidance literature:

With pyridine; thionyl chloride; benzene; weitere Reagentien: Diazomethan, Aether; weitere Angaben: Erwaermen des erhaltenen Diazoketons mit Methanol und Silberoxid und Behandeln des Reaktionsgemisches mit wss. Kalilauge;

DOI:10.1021/ja01866a079

Reference yield:

4-(4-methyl-[1]phenanthryl)-4-oxo-butyric acid → 4-(4-methyl-[1]phenanthryl)-butyric acid (6321-67-1)

Guidance literature:

With hydrogenchloride; amalgamated zinc; acetic acid; weiteres Reagens: Toluol;

DOI:10.1021/ja01866a079

Reference yield:

4-(4-methyl-[1]phenanthryl)-butyric acid (6321-67-1) → 7-oxo-7,8,9,10-tetrahydro-5-methylchrysene (27343-29-9)

Guidance literature:

Multistep reaction; (i) SOCl₂, Py, Et₂O, (ii) SnCl₄, benzene, (iii) aq. HCl;

DOI:10.1039/j39700001266

Downstream raw materials:

7-oxo-7,8,9,10-tetrahydro-5-methylchrysene