5-(4-Methylphenyl)pentanoic acid

Base Information

• Chemical Name: 5-(4-Methylphenyl)pentanoic acid
• CAS No.: 777-93-5
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID90573334
• Nikkaji Number: J725.917D
• Wikidata: Q82462032
• Mol file: 777-93-5.mol

Synonyms:5-(4-methylphenyl)pentanoic acid;777-93-5;5-(4-METHYLPHENYL)VALERIC ACID;5-(p-Tolyl)pentanoic acid;5-p-tolylpentanoic acid;SCHEMBL1066202;5-(p-methyl-phenyl)valeric acid;DTXSID90573334;MFCD04972093;AKOS008118244;4-methylphenylpentanoic acid, AldrichCPR;EN300-59443;G48576;M-4301;Z361415536

Chemical Property of 5-(4-Methylphenyl)pentanoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.79240
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

98%min ^*data from raw suppliers

5-(4-methylphenyl)pentanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-(4-Methylphenyl)pentanoic acid

There total 14 articles about 5-(4-Methylphenyl)pentanoic 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: 42.0%

4-tolyl iodide (624-31-7) → 5-(p-tolyl)pentanoic acid (777-93-5)

Guidance literature:

Multistep reaction.;

DOI:10.1039/b003879m

Reference yield: 32.0%

pent-4-enoic acid (591-80-0) + para-bromotoluene (106-38-7) → 5-(p-tolyl)pentanoic acid (777-93-5)

Guidance literature:

With C₄₂H₃₆Cl₂N₂Pd; potassium hydroxide; In isopropyl alcohol; at 75 ℃; for 12h;

DOI:10.1039/c8cc02571a

Reference yield:

5-(p-tolyl)pent-4-enoic acid (5724-05-0) → 5-(p-tolyl)pentanoic acid (777-93-5)

Guidance literature:

With 50% palladium on charcoal; hydrogen; In ethanol; at 50 ℃; for 6h;

DOI:10.1016/j.tetasy.2013.02.015

upstream raw materials:

5-chloromethyl-dihydro-furan-2-one

toluene

1-bromo-4-(4'-methylphenyl)butane

5-(4-methylphenyl)-5-oxopentanoic acid

Downstream raw materials:

5-p-tolyl-valeric acid amide

1-Thiophen-2-yl-5-p-tolyl-pentan-1-one

2-(5-p-Tolyl-pentyl)-thiophene

3,3-Dimethyl-5-oxo-5-[5-(5-p-tolyl-pentyl)-thiophen-2-yl]-pentanoic acid