(3S,4S,6S)-3-Hexyl-3,4,5,6-tetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one

Base Information

Chemical Name:(3S,4S,6S)-3-Hexyl-3,4,5,6-tetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one
CAS No.:68711-33-1
Molecular Formula:C22H42O3
Molecular Weight:354.574
Hs Code.:
DSSTox Substance ID:DTXSID10562129
Wikidata:Q82446146
Mol file:68711-33-1.mol

Synonyms:68711-33-1;(3S,4S,6S)-3-Hexyl-3,4,5,6-tetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one;(3S,4S,6S)-3-Hexyl-4-hydroxy-6-undecyloxan-2-one;[3s-(3alpha,4alpha,6beta)]-;DTXSID10562129;(3S,4S,6S)-3-Hexyl-4-hydroxy-6-undecyloxan-2-one (non-preferred name);[3S-(3a,4a,6b)]-3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one;[3S-(3 alpha ,4 alpha ,6 beta )]-3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one;[3S-(3alpha,4alpha,6beta)]-3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one

Suppliers and Price of (3S,4S,6S)-3-Hexyl-3,4,5,6-tetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
[3S-(3α,4α,6β)]-3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one
2.5mg
$ 140.00

American Custom Chemicals Corporation
[3S-(3 ,4 ,6 )]-3-HEXYLTETRAHYDRO-4-HYDROXY-6-UNDECYL-2H-PYRAN-2-ONE 95.00%
25MG
$ 1904.02

American Custom Chemicals Corporation
[3S-(3 ,4 ,6 )]-3-HEXYLTETRAHYDRO-4-HYDROXY-6-UNDECYL-2H-PYRAN-2-ONE 95.00%
2.5MG
$ 912.45

American Custom Chemicals Corporation
(3S,4S,6S)-3-HEXYL-3,4,5,6-TETRAHYDRO-4-HYDROXY-6-UNDECYL-2H-PYRAN-2-ONE 95.00%
5MG
$ 501.27

Total 7 raw suppliers

Chemical Property of (3S,4S,6S)-3-Hexyl-3,4,5,6-tetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:483.15°C at 760 mmHg
Flash Point:183.676°C
PSA：46.53000
Density:0.931g/cm³
LogP:6.17030
Storage Temp.:Hygroscopic, -20?C Freezer, Under Inert Atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:8.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:15
Exact Mass:354.31339520
Heavy Atom Count:25
Complexity:329

Purity/Quality:

99% ^*data from raw suppliers

[3S-(3α,4α,6β)]-3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCCCCCCCC1CC(C(C(=O)O1)CCCCCC)O
Isomeric SMILES:CCCCCCCCCCC[C@H]1C[C@@H]([C@@H](C(=O)O1)CCCCCC)O
Uses A product from thermal and hydrolytic degradation of Orlistat A product from thermal and hydrolytic degradation of Orlistat (O686500).

Technology Process of (3S,4S,6S)-3-Hexyl-3,4,5,6-tetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one

There total 9 articles about (3S,4S,6S)-3-Hexyl-3,4,5,6-tetrahydro-4-hydroxy-6-undecyl-2H-pyran-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: 71.0%

: 96829-58-2,104872-04-0,104872-27-7,104872-28-8,111466-61-6,111466-62-7,111466-63-8,130193-40-7,130193-41-8,130193-42-9,130193-43-0,1225451-00-2
Tetrahydrolipstatin

: 68711-33-1
(3S,4S,6S)-3-Hexyl-3,4,5,6-tetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one

Guidance literature:: With potassium hydroxide; In 1,4-dioxane; for 4h; Ambient temperature;
DOI:10.1002/hlca.19900730427

Reference yield: 60.0%

: 134360-66-0
(2S,3S,5S)-3-hydroxy-2-hexyl-5-undecylcyclopentan-1-one

: 68711-33-1
(3S,4S,6S)-3-Hexyl-3,4,5,6-tetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one

Guidance literature:: With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 20h;
DOI:10.1021/jo00015a027

Reference yield:

: 124-07-2
Octanoic acid

: 68711-33-1,104801-94-7,104801-96-9,111466-64-9,130793-26-9,136890-12-5
(6R)-3-hexyl-3,4,5,6-tetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) diisopropylamine, BuLi / 1.) THF, hexane, a) -50 deg C, 15 min, b) RT, 1 h, 2.) -78 deg C, 3 h

2: H₂ / 10percent Pd/C / tetrahydrofuran / 760 Torr / Ambient temperature

3: p-TsOH, / CHCl₃ / Ambient temperature

With n-butyllithium; hydrogen; toluene-4-sulfonic acid; diisopropylamine; palladium on activated charcoal; In tetrahydrofuran; chloroform;
DOI:10.1021/jo00241a018