5-(3,4-Methylenedioxyphenyl)pentanoic acid

Base Information

• Chemical Name: 5-(3,4-Methylenedioxyphenyl)pentanoic acid
• CAS No.: 41917-45-7
• Molecular Formula: C12H14O4
• Molecular Weight: 222.23700
• UNII: CQ6GR7TE6Z
• DSSTox Substance ID: DTXSID90415785
• Nikkaji Number: J551.239E
• Wikidata: Q82224773
• Metabolomics Workbench ID: 46340
• Mol file: 41917-45-7.mol

Synonyms:5-(1,3-benzodioxol-5-yl)pentanoic acid;5-(3,4-Methylenedioxyphenyl)pentanoic acid;41917-45-7;1,3-Benzodioxole-5-pentanoic acid;Piperhydronic acid;Tetrahydropiperinic acid;CQ6GR7TE6Z;DTXSID90415785;CHEBI:174137;5-(1,3-dioxaindan-5-yl)pentanoic acid;1,3-Benzodioxole-5-pentanoic acid, 9CI;EN300-7462313;5-(2H-1,3-BENZODIOXOL-5-YL)PENTANOIC ACID;Z3241383247

Chemical Property of 5-(3,4-Methylenedioxyphenyl)pentanoic acid

Chemical Property:

• PSA: 55.76000
• LogP: 2.21270
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

5-(3,4-Methylenedioxyphenyl)pentanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)CCCCC(=O)O

Technology Process of 5-(3,4-Methylenedioxyphenyl)pentanoic acid

There total 16 articles about 5-(3,4-Methylenedioxyphenyl)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: 98.0%

piperic acid (136-72-1) → 5-(3',4'-methylenedioxyphenyl)pentanoic acid (41917-45-7)

Guidance literature:

With zinc copper; In methanol; for 3h; Product distribution; Heating; reduction of activated olefins of the type Ph₂C=CXY, R₂C=CXY, and RCH=CXY (where X and Y are electronegative substituents or one of them is a hydrogen atom) to the corresponding saturated compounds;

Reference yield: 97.0%

(E)-5-(benzo[d][1,3]dioxol-5-yl)pent-4-enoic acid (190592-34-8) → 5-(3',4'-methylenedioxyphenyl)pentanoic acid (41917-45-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1248/cpb.45.685

Reference yield: 95.0%

ethyl 5-(3,4-methylenedioxyphenyl)pentanoate (33543-14-5) → 5-(3',4'-methylenedioxyphenyl)pentanoic acid (41917-45-7)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 12h;

DOI:10.1016/j.bmc.2013.07.010

upstream raw materials:

3-(1,3-Benzodioxol-5-yl)propylmalonsaeure

piperic acid

1-allyl-3,4-methylenedioxybenzene

2-phenoxyacetic acid

Downstream raw materials:

tetrahydropiperine

Refernces

• 1、 Motiwala, Hashim F.,Vekariya, Rakesh H.,Aubé, Jeffrey. "Intramolecular Friedel-Crafts Acylation Reaction Promoted by 1,1,1,3,3,3-Hexafluoro-2-propanol". supporting information. p. 5484 - 5487. Retrieved 2015/11/18.
• 2、 Singh, Inder Pal,Jain, Shreyans Kumar,Kaur, Amandeep,Singh, Sukhvinder,Kumar, Rajender,Garg, Prabha,Sharma, Shyam Sundar,Arora, Sunil Kumar. "Synthesis and Antileishmanial activity of Piperoyl-Amino Acid Conjugates". experimental part. p. 3439 - 3445. Retrieved 2010/08/19.