Methyl 4-(4-oxopentyl)benzoate

Base Information

Chemical Name:Methyl 4-(4-oxopentyl)benzoate
CAS No.:103094-70-8
Molecular Formula:C13H16O3
Molecular Weight:220.268
Hs Code.:
DSSTox Substance ID:DTXSID80434182
Nikkaji Number:J1.689.205J
Wikidata:Q82248522
Mol file:103094-70-8.mol

Synonyms:Methyl 4-(4-oxopentyl)benzoate;103094-70-8;SCHEMBL3933575;DTXSID80434182;PCANUTXUTRHVTG-UHFFFAOYSA-N;4-(4-Oxopentyl)benzoic acid methyl ester

Suppliers and Price of Methyl 4-(4-oxopentyl)benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of Methyl 4-(4-oxopentyl)benzoate

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:220.109944368
Heavy Atom Count:16
Complexity:240

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CCCC1=CC=C(C=C1)C(=O)OC

Technology Process of Methyl 4-(4-oxopentyl)benzoate

There total 12 articles about Methyl 4-(4-oxopentyl)benzoate 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: 88.0%

: 103094-76-4
methyl 4-(4-hydroxypentyl)benzoate

: 103094-70-8
methyl 4-(4-oxopentyl)benzoate

Guidance literature:: With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 0.5h;
DOI:10.1021/jo034767w

Reference yield: 80.0%

: 111957-98-3,625-31-0
Pent-4-en-2-ol

: 619-42-1
4-methoxycarbonylphenyl bromide

: 103094-70-8
methyl 4-(4-oxopentyl)benzoate

Guidance literature:: With lithium acetate; tetrabutyl-ammonium chloride; lithium chloride; palladium diacetate;
DOI:10.1021/jm0203534

Reference yield:

: 86608-70-0
2-(1,3-dioxolan-2-yl)ethyl(triphenyl)phosphonium bromide

: 103094-70-8
methyl 4-(4-oxopentyl)benzoate

Guidance literature:: Multi-step reaction with 5 steps

1.1: NaH / tetrahydrofuran / 0.5 h / 0 °C

1.2: 90 percent / tetrahydrofuran / 1 h / 0 °C

2.1: H₂ / Pd/C / methanol / 0.5 h / 20 °C / 760 Torr

3.1: 99 percent / PPTS / acetone; H₂O / 12 h / Heating

4.1: 56 percent / tetrahydrofuran / 1 h / -40 °C

5.1: 88 percent / Dess-Martin periodinane / CH₂Cl₂ / 0.5 h / 20 °C

With hydrogen; pyridinium p-toluenesulfonate; sodium hydride; Dess-Martin periodane; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; water; acetone; 1.2: Wittig olefination;
DOI:10.1021/jo034767w