5S,6S-DiHETE

Base Information

Chemical Name:5S,6S-DiHETE
CAS No.:82948-87-6
Molecular Formula:C20H32O4
Molecular Weight:336.47
Hs Code.:2918199090
European Community (EC) Number:632-906-2
Wikidata:Q27123891
Metabolomics Workbench ID:2642
Mol file:82948-87-6.mol

Synonyms:5S,6S-DiHETE;82948-87-6;5(S),6(S)-DiHETE;(5S,6S)-di-HETE;(5S,6S,7E,9E,11Z,14Z)-5,6-dihydroxyicosa-7,9,11,14-tetraenoic acid;5S,6S-dihydroxy-7E,9E,11Z,14Z-eicosatetraenoic acid;5(S),6(S)-DiHETE Lipid Maps(R) MS Standard;SCHEMBL8513434;CHEBI:53026;LMFA03060018;PD018251;SR-01000946933;SR-01000946933-1;Q27123891;(5S,6S)-dihydroxy-(7E,9E,11Z,14Z)-icosatetraenoic acid;(5S,6S,7E,9E,11Z,14Z)-5,6-dihydroxyicosatetraenoic acid;threo-(5S,6S)-dihydroxy-7,9-trans-11,14-cis-eicosatetraenoic acid;(5S,6S,7E,9E,11Z,14Z)-5,6-dihydroxyeicosa-7,9,11,14-tetraenoic acid;(5S,6S)-Dihydroxy-(7E,9E,11Z,14Z)-eicosatetraenoic acid, >=90%, ~100 mug/mL in ethanol

Suppliers and Price of 5S,6S-DiHETE

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

Cayman Chemical
5(S),6(S)-DiHETE ≥98%
100μg
$ 342.00

Cayman Chemical
5(S),6(S)-DiHETE ≥98%
50μg
$ 181.00

Cayman Chemical
5(S),6(S)-DiHETE MaxSpec? Standard ≥95%
10μg
$ 139.00

Cayman Chemical
5(S),6(S)-DiHETE ≥98%
25μg
$ 95.00

Total 6 raw suppliers

Chemical Property of 5S,6S-DiHETE

Chemical Property:

Vapor Pressure:8.43E-14mmHg at 25°C
Boiling Point:537.6°C at 760 mmHg
Flash Point:293°C
PSA：77.76000
Density:1.04g/cm³
LogP:4.15830
Storage Temp.:−20°C
XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:14
Exact Mass:336.23005950
Heavy Atom Count:24
Complexity:421

Purity/Quality:

99% ^*data from raw suppliers

5(S),6(S)-DiHETE ≥98% ^*data from reagent suppliers

Safty Information:

Pictogram(s): F,Xi
Hazard Codes:F,Xi
Statements: 11-36/37/38
Safety Statements: 16-26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)O
Isomeric SMILES:CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]([C@H](CCCC(=O)O)O)O

Technology Process of 5S,6S-DiHETE

There total 11 articles about 5S,6S-DiHETE 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:

: 127996-90-1
(5S)-<(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraen-1-yl>-2-oxo-1,3-dioxolane-4-butanoate de methyle

: 82948-87-6
threo (5S,6S)-dihydroxy-7,9-trans-11,14-cis-eicosatetraenoic acid

Guidance literature:: With methanol; sodium hydroxide; at 20 ℃; for 1h;
DOI:10.1016/S0040-4039(01)80550-5

Reference yield:

: 79308-47-7,120400-95-5,127705-16-2
5-((S)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-5-hydroxy-pentanoic acid methyl ester

: 82948-87-6
threo (5S,6S)-dihydroxy-7,9-trans-11,14-cis-eicosatetraenoic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 4.4 eq. anh. pyridine / CH₂Cl₂ / 2 h / 20 °C

2: THF-H₂O-TFA / 20 h / 20 °C

4: 1.) BuLi, HMPA / 1.) THF, -78 deg C, 30 min; 2.) THF, -78 to 0 deg C, 3 h

5: MeOH/NaOH (10N) / 1 h / 20 °C

With tetrahydrofuran; pyridine; methanol; N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydroxide; n-butyllithium; water; trifluoroacetic acid; In dichloromethane;
DOI:10.1016/S0040-4039(01)80550-5

Reference yield:

: 127705-13-9,127721-08-8
1-((S)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-4-(4-methyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-yl)-butan-1-ol

: 82948-87-6
threo (5S,6S)-dihydroxy-7,9-trans-11,14-cis-eicosatetraenoic acid

Guidance literature:: Multi-step reaction with 7 steps

1: 90 percent / THF-H₂O-AcOH / 1 h / 20 °C

2: 70 percent / anh. K₂CO₃ / methanol / 1.5 h / 20 °C

3: 4.4 eq. anh. pyridine / CH₂Cl₂ / 2 h / 20 °C

4: THF-H₂O-TFA / 20 h / 20 °C

6: 1.) BuLi, HMPA / 1.) THF, -78 deg C, 30 min; 2.) THF, -78 to 0 deg C, 3 h

7: MeOH/NaOH (10N) / 1 h / 20 °C

With tetrahydrofuran; pyridine; methanol; N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydroxide; n-butyllithium; water; potassium carbonate; acetic acid; trifluoroacetic acid; In methanol; dichloromethane;
DOI:10.1016/S0040-4039(01)80550-5