5-(Benzyloxy)pentanoic acid

Base Information

• Chemical Name: 5-(Benzyloxy)pentanoic acid
• CAS No.: 64740-39-2
• Molecular Formula: C12H16 O3
• Molecular Weight: 208.257
• DSSTox Substance ID: DTXSID40439597
• Nikkaji Number: J1.220.042K
• Wikidata: Q82255589
• Mol file: 64740-39-2.mol

Synonyms:5-(benzyloxy)pentanoic acid;64740-39-2;5-phenylmethoxypentanoic Acid;5-BENZYLOXYPENTANOIC ACID;5-(Phenylmethoxy)pentanoic acid;Pentanoic acid, 5-(phenylmethoxy)-;5-Benzyloxy-pentanoic Acid;5-Benzyloxyvaleric acid;SCHEMBL712393;DTXSID40439597;MXXWSDBAURXMNQ-UHFFFAOYSA-N;5-(BENZYLOXY)PENTANOICACID;MS-21636;CS-0313941;W17417;A1-09471

Chemical Property of 5-(Benzyloxy)pentanoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 2.45810
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

5-(Phenylmethoxy)pentanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COCCCCC(=O)O
• Uses: 5-(Phenylmethoxy)pentanoic Acid is the derived from δ-Valerolactone (V091445), which is a compound commonly used to synthesize copolyesters by means of lipase-catalyzed ring opening polymerization.

Technology Process of 5-(Benzyloxy)pentanoic acid

There total 18 articles about 5-(Benzyloxy)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: 100.0%

5-(benzyloxy)-1-pentanol (4541-15-5) → 5-benzyloxypentanoic acid (64740-39-2)

Guidance literature:

With 4-(polystyrylMeO)-2,2,6,6-tetraMepiperidin-1-yloxy radical; PS-CH₂Me₃(+)*ClO₂(-); PS-CH₂NMe₃(+)*H₂PO₄(-); potassium bromide; In water; acetonitrile; at 20 ℃; for 24h;

DOI:10.1039/b201776h

Reference yield: 83.0%

5-benzyloxy-1-pentanal (78999-24-3) → 5-benzyloxypentanoic acid (64740-39-2)

Guidance literature:

With potassium dihydrogenphosphate; 2-methyl-but-2-ene; polymer-supported chlorite; In water; tert-butyl alcohol; at 25 ℃;

DOI:10.1055/s-2001-17448

Reference yield: 75.0%

3,4,5,6-tetrahydro-2H-pyran-2-one (542-28-9,26354-94-9) + benzyl chloride (100-44-7) → 5-benzyloxypentanoic acid (64740-39-2)

Guidance literature:

With potassium hydroxide; In toluene; for 16h; Heating;

upstream raw materials:

carbon dioxide

4-Benzyloxy-butyl-phenylsulfid

3,4,5,6-tetrahydro-2H-pyran-2-one

benzyl chloride

Downstream raw materials:

ethyl 5-benzyloxypentanoate

(2'R,4R)-4-benzyl-3-(5'-benzyloxy-2'-methylpentanoyl)oxazolidin-2-one

(1S,2R)-2-[(R)-4-Benzyloxy-1-((2S,5S)-2,5-dimethyl-pyrrolidine-1-carbonyl)-butyl]-1-((E)-4,8-dimethyl-nona-3,7-dienyl)-cyclopentanecarboxylic acid methyl ester

<1α,1(E),2α(S^*)>-(+/-)-1-(4,8-Dimethyl-3,7-nonadienyl)-2-<4-(phenylmethoxy)-1-(1-pyrrolidinylcarbonyl)butyl>cyclopentanemethanol