6-(1,2-Dihydroxypentyl)-4-methoxy-5,6-dihydropyran-2-one

Base Information

• Chemical Name: 6-(1,2-Dihydroxypentyl)-4-methoxy-5,6-dihydropyran-2-one
• CAS No.: 41164-59-4
• Molecular Formula: C11H18O5
• Molecular Weight: 230.258
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID90961474
• Wikidata: Q82942909
• Mol file: 41164-59-4.mol

Synonyms:6-(1,2-dihydroxypentyl)-4-methoxy-5,6-dihydropyran-2-one;LL P880 beta;LL-P880-beta;LL-P880beta

Chemical Property of 6-(1,2-Dihydroxypentyl)-4-methoxy-5,6-dihydropyran-2-one

Chemical Property:

• Vapor Pressure: 2.92E-10mmHg at 25°C
• Melting Point: 133-134 °C
• Boiling Point: 456.7°C at 760 mmHg
• PKA: 13.22±0.20(Predicted)
• Flash Point: 178.3°C
• PSA: 75.99000
• Density: 1.2g/cm³
• LogP: 0.35410
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 230.11542367
• Heavy Atom Count: 16
• Complexity: 274

Purity/Quality:

97% ^*data from raw suppliers

7-Hydroxypestalotin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C(C1CC(=CC(=O)O1)OC)O)O
• Uses: Hydroxypestalotin, a minor analogue of pestalotin, was isolated from Pencillium decumbens. Only the initial report of the metabolite's isolation is available. It is presumed to share a common activity profile with pestalotin. Hydroxypestalotin, a minor analogue of pestalotin, was isolated from Penicillium decumbens. Only the initial report of the metabolite's isolation is available. It is presumed to share a common activity profile with pestalotin. 7-Hydroxypestalotin is a minor analog metabolite of pestalotin.

Technology Process of 6-(1,2-Dihydroxypentyl)-4-methoxy-5,6-dihydropyran-2-one

There total 25 articles about 6-(1,2-Dihydroxypentyl)-4-methoxy-5,6-dihydropyran-2-one 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: 85.0%

(S)-6-((2S,3R)-5,5-dimethyl-3-propyl-1,3-dioxan-2-yl)-4-methoxy-5,6-dihydro-2H-pyran-2-one → hydroxypestalotin (41164-59-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.tetlet.2015.01.069

Reference yield:

(6RS,1'S,2'R)-6-(1',2'-Dibenzyloxypentyl)-5,6-dihydro-4-methoxypyrane-2-one (131087-31-5,131175-98-9,145772-64-1,145772-65-2,146143-45-5,146143-46-6) → (6R,1'S,2'R)-6-(1',2'-Dihydroxypentyl)-5,6-dihydro-4-methoxypyrane-2-one (41164-59-4,58846-07-4,58846-08-5,146143-47-7,146143-48-8,131175-99-0) + hydroxypestalotin (41164-59-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 6h; under 760 Torr;

Reference yield:

(6RS,1'S,2'R)-6-(1',2'-Dibenzyloxypentyl)-5,6-dihydro-4-methoxypyrane-2-one (131087-31-5,131175-98-9,145772-64-1,145772-65-2,146143-45-5,146143-46-6) → (6R,1'S,2'R)-6-(1',2'-Dihydroxypentyl)-5,6-dihydro-4-methoxypyrane-2-one (41164-59-4,58846-07-4,58846-08-5,146143-47-7,146143-48-8,131175-99-0) + hydroxypestalotin (41164-59-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 6h; under 760 Torr;

upstream raw materials:

(6RS,1'S,2'R)-6-(1',2'-Dibenzyloxypentyl)-5,6-dihydro-4-methoxypyrane-2-one

1,1-diethoxy-cyclopentane

(2S,3R)-2,3-Dibenzyloxyhexanal

(2S,3S,4R)-3-Benzyloxy-1,2-cyclopentylidenedioxy-4-hydroxyheptane