Methyl 5-[4-(3-chloropropanoyl)phenyl]pentanoate

Base Information

• Chemical Name: Methyl 5-[4-(3-chloropropanoyl)phenyl]pentanoate
• CAS No.: 103542-40-1
• Molecular Formula: C₁₅H₁₉ClO₃
• Molecular Weight: 282.767
• DSSTox Substance ID: DTXSID10601648
• Wikidata: Q82498426
• Mol file: 103542-40-1.mol

Synonyms:103542-40-1;METHYL 5-[4-(3-CHLOROPROPANOYL)PHENYL]PENTANOATE;SCHEMBL9770962;DTXSID10601648;SGMKVGOZQJWMHF-UHFFFAOYSA-N;methyl p-[beta-chloropropionyl]-5-phenylvalerate

Chemical Property of Methyl 5-[4-(3-chloropropanoyl)phenyl]pentanoate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 282.1022722
• Heavy Atom Count: 19
• Complexity: 283

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCCC1=CC=C(C=C1)C(=O)CCCl

Technology Process of Methyl 5-[4-(3-chloropropanoyl)phenyl]pentanoate

There total 2 articles about Methyl 5-[4-(3-chloropropanoyl)phenyl]pentanoate 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:

5-Phenylpentanoic acid (2270-20-4) + 2-chloropropionyl chloride (625-36-5) → methyl 5-[4-(3-chloropropanoyl)phenyl]pentanoate (103542-40-1)

Guidance literature:

In CS₂; AlCl₃;

Reference yield:

5-Phenylpentanoic acid (2270-20-4) → methyl 5-[4-(3-chloropropanoyl)phenyl]pentanoate (103542-40-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / H₂SO₄

2: 83 percent / AlCl₃ / CH₂Cl₂ / 1 h / 20 °C

With aluminium trichloride; sulfuric acid; In dichloromethane; 2: Friedel-Crafts reaction;

DOI:10.1002/hlca.200690275

Reference yield: 46.0%

methyl 5-[4-(3-chloropropanoyl)phenyl]pentanoate (103542-40-1) + 8-Amino-4-phenylquinoline (55484-55-4) → 5-(4-(7-phenyl-1,10-phenanthrolin-4-yl-κN1,κN10)phenyl)pentanoic acid (103542-41-2) + methyl 5-[4-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]pentanoate (103542-42-3)

Guidance literature:

With phosphoric acid; at 130 ℃; for 1.5h;

DOI:10.1002/hlca.200690275

upstream raw materials:

5-Phenylpentanoic acid

2-chloropropionyl chloride

Downstream raw materials:

5-(4-(7-phenyl-1,10-phenanthrolin-4-yl-κN1,κN10)phenyl)pentanoic acid

methyl 5-[4-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]pentanoate