5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one

Base Information

• Chemical Name: 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
• CAS No.: 77398-92-6
• Molecular Formula: C19H30O4
• Molecular Weight: 322.445
• ChEMBL ID: CHEMBL3883516
• DSSTox Substance ID: DTXSID10414992
• Metabolomics Workbench ID: 46133
• Nikkaji Number: J1.097.934J
• Wikidata: Q72484397
• Mol file: 77398-92-6.mol

Synonyms:5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one;77398-92-6;(S)-[8]-Gingerol;3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-;CHEMBL3883516;(S)-8-Gingerol;(??)-8-Gingerol;(S)-(+)-[8]-Gingerol;5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone;SCHEMBL4883453;DTXSID10414992;BCIWKKMTBRYQJU-UHFFFAOYSA-N;CHEBI:171697;BDBM50210057;AKOS040734369;PD086949;FT-0626693;5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)dodecan-3-one

Chemical Property of 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one

Chemical Property:

• Boiling Point: 476℃
• PKA: 10.02±0.20(Predicted)
• Flash Point: 162℃
• PSA: 66.76000
• Density: 1.058
• LogP: 4.01400
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 322.21440943
• Heavy Atom Count: 23
• Complexity: 319

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O

Technology Process of 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one

There total 68 articles about 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-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: 97.0%

(E)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodec-1-en-3-one (77334-02-2) → 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one (77398-92-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h;

DOI:10.1021/acs.jmedchem.7b01426

Reference yield: 95.0%

Octanal (124-13-0) + 4-(4-hydroxy-3-methoxyphenyl)-2-butanone (122-48-5) → 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one (77398-92-6)

Guidance literature:

With n-butyllithium; lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 6h;

DOI:10.1080/00397919908086182

Reference yield: 95.0%

[8]-dehydrogingerol (1186501-40-5) → [8]-gingerol (23513-08-8,77398-92-6,107257-17-0,135272-33-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h;

DOI:10.1021/acs.jmedchem.7b01426

upstream raw materials:

Octanal

4-(3-methoxy-4-trimethylsilyloxyphenyl)butan-2-one

4-{2-[2-(2-Hydroxy-nonyl)-[1,3]dioxolan-2-yl]-ethyl}-2-methoxy-phenol

4-(4-hydroxy-3-methoxyphenyl)-2-butanone

Downstream raw materials:

[8]-shogaol

[8]-gingerol

(R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one

[8]-shogaol

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