Allixin

Base Information

Chemical Name:Allixin
CAS No.:125263-70-9
Molecular Formula:C₁₂H₁₈O₄
Molecular Weight:226.273
Hs Code.:
UNII:851A356OPF
DSSTox Substance ID:DTXSID00154719
Nikkaji Number:J627.471D
Wikipedia:Allixin
Wikidata:Q4732945
NCI Thesaurus Code:C63951
Metabolomics Workbench ID:49136
Mol file:125263-70-9.mol

Synonyms:3-hydroxy-5-methoxy-6-methyl-2-pentyl-4H-pyran-4-one;allixin

Suppliers and Price of Allixin

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

Total 7 raw suppliers

Chemical Property of Allixin

Chemical Property:

Vapor Pressure:2.8E-07mmHg at 25°C
Boiling Point:378.4°C at 760 mmHg
Flash Point:142.7°C
PSA：59.67000
Density:1.12g/cm³
LogP:2.39510
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:226.12050905
Heavy Atom Count:16
Complexity:339

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC1=C(C(=O)C(=C(O1)C)OC)O

Technology Process of Allixin

There total 24 articles about Allixin 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: 60.0%

: (2R,3R)-3-Hydroxy-5-methoxy-6-methyl-2-pentyl-2,3-dihydro-pyran-4-one

: 125263-70-9
allixin

Guidance literature:: With sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine; Ambient temperature;
DOI:10.1016/S0040-4039(97)10072-7

Reference yield: 10.0%

: 206662-28-4
5,6-Dimethoxy-6-methyl-2-pentyl-dihydro-pyran-3-one

: 125263-70-9
allixin

Guidance literature:: With selenium(IV) oxide; In toluene; for 3h; Heating;
DOI:10.1016/S0040-4039(98)00148-8

Reference yield:

: 122821-79-8
2,6-Anhydro-1-O-(tert-butyldiphenylsilyl)-7,8,9-trideoxy-4,5-O-isopropylidene-D-glycero-D-manno-non-8-enitol

: 125263-70-9
allixin

Guidance literature:: Multi-step reaction with 17 steps

1: 1.) NaH / 1.) THF, room t., 2.) THF, room t.

2: 92 percent / OsO₄, NaIO₄ / tetrahydrofuran; H₂O

3: 89 percent / NaHMDS / tetrahydrofuran / -78 deg C to room t.

4: TBAF / tetrahydrofuran / 0 °C

5: 1.) NaH, 2.) Bu₄NI / 1.) room t., 2.) room t.

6: 2M HCl / 50 °C

7: 66 percent / pyridine / CH₂Cl₂ / 0 °C

8: 86 percent / imidazole / dimethylformamide / Ambient temperature

9: 71 percent / DIBAL-H / CH₂Cl₂ / -78 °C

10: i-Pr₂NEt, Bu₄NI / Heating

11: 95 percent / H₂, K₂CO₃ / Pd(OH)2 / ethanol / Ambient temperature

12: 82 percent / MeI, DEAD, Ph₃P / tetrahydrofuran / Ambient temperature

13: 66 percent / DBU, MSA₄A / toluene / 72 h / 90 °C

14: TBAF / tetrahydrofuran / 0 °C

15: 94 percent / pyr-SO₃, DMSO, Et₃N / Ambient temperature

16: 91 percent / TMSBr / CH₂Cl₂ / -30 °C

17: 60 percent / pyr-SO₃, Et₃N, DMSO / Ambient temperature

With pyridine; 1H-imidazole; hydrogenchloride; sodium periodate; osmium(VIII) oxide; trimethylsilyl bromide; tetrabutyl ammonium fluoride; hydrogen; sodium hexamethyldisilazane; sulfur trioxide pyridine complex; tetra-(n-butyl)ammonium iodide; sodium hydride; diisobutylaluminium hydride; potassium carbonate; dimethyl sulfoxide; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; N-ethyl-N,N-diisopropylamine; triphenylphosphine; diethylazodicarboxylate; methyl iodide; palladium dihydroxide; In tetrahydrofuran; ethanol; dichloromethane; water; N,N-dimethyl-formamide; toluene;
DOI:10.1016/S0040-4039(97)10072-7