Hericenone A

Base Information

Chemical Name:Hericenone A
CAS No.:126654-52-2
Molecular Formula:C19H22 O5
Molecular Weight:330.381
Hs Code.:
DSSTox Substance ID:DTXSID001045994
Metabolomics Workbench ID:47102
Nikkaji Number:J2.211.978H

Synonyms:hericenone A

Suppliers and Price of Hericenone A

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 31 raw suppliers

Chemical Property of Hericenone A

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:330.14672380
Heavy Atom Count:24
Complexity:544

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CC(=O)CC(=CCC1=C(C=C2C(=C1O)COC2=O)OC)C)C
Isomeric SMILES:CC(=CC(=O)C/C(=C/CC1=C(C=C2C(=C1O)COC2=O)OC)/C)C

Technology Process of Hericenone A

There total 20 articles about Hericenone A 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: 78.0%

: 1610729-71-9
(E)-5-(3,7-dimethyl-5-oxoocta-2,6-dien-1-yl)-6-methoxy-4-(methoxymethoxy)isobenzofuran-1(3H)-one

: 126654-52-2
(E)-5-(3,7-dimethyl-5-oxoocta-2,6-dien-1-yl)-4-hydroxy-6-methoxyisobenzofuran-1(3H)-one

Guidance literature:: (E)-5-(3,7-dimethyl-5-oxoocta-2,6-dien-1-yl)-6-methoxy-4-(methoxymethoxy)isobenzofuran-1(3H)-one; With dimethylboron bromide; 1-penten; In dichloromethane; at -78 ℃; for 1h;

With triethylamine; at 0 ℃; for 1h;
DOI:10.1021/jo500795z

Reference yield:

: 143537-60-4
4-Hydroxy-6-methoxy-5-{(E)-3-methyl-4-[2-(2-methyl-propenyl)-[1,3]dithian-2-yl]-but-2-enyl}-3H-isobenzofuran-1-one

: 126654-52-2
(E)-5-(3,7-dimethyl-5-oxoocta-2,6-dien-1-yl)-4-hydroxy-6-methoxyisobenzofuran-1(3H)-one

Guidance literature:: With mercury dichloride; mercury(II) oxide; In methanol; water; for 0.75h;
DOI:10.1016/0040-4039(92)88100-J

Reference yield:

: 143537-45-5
(6-Allyl-5-methoxy-cyclohexa-1,5-dienyloxy)-trimethyl-silane

: 126654-52-2
(E)-5-(3,7-dimethyl-5-oxoocta-2,6-dien-1-yl)-4-hydroxy-6-methoxyisobenzofuran-1(3H)-one

Guidance literature:: Multi-step reaction with 9 steps

1: 12 h / 160 °C

2: K₂CO₃ / acetone / 12 h / Heating

3: O₃ / various solvent(s); CH₂Cl₂ / 4 h / -78 - 20 °C

4: 88 percent / BCl₃ / various solvent(s) / 0.17 h / -10 °C

5: benzene / 36 h / Heating

6: 74 percent / NaBH₄ / methanol / 0.75 h / 0 °C

7: CBr₄, PPh₃ / CH₂Cl₂ / 4 h / Ambient temperature

8: n-BuLi / tetrahydrofuran / 12 h / -20 - 20 °C

9: HgO, HgCl₂ / H₂O; methanol / 0.75 h

With sodium tetrahydroborate; n-butyllithium; carbon tetrabromide; boron trichloride; potassium carbonate; ozone; triphenylphosphine; mercury dichloride; mercury(II) oxide; In tetrahydrofuran; methanol; dichloromethane; water; acetone; benzene;
DOI:10.1016/0040-4039(92)88100-J