Cephalonic acid

Base Information

Chemical Name:Cephalonic acid
CAS No.:18456-04-7
Molecular Formula:C₂₅H₃₆O₄
Molecular Weight:400.558
Hs Code.:
UNII:224FTK48U6
Nikkaji Number:J13.656E
Wikidata:Q27253602
Mol file:18456-04-7.mol

Synonyms:Cephalonic acid;Ophiobolin D;Cephalonic acid [MI];18456-04-7;8-Hydroxy-5-oxoophiobola-3,6,19-trien-25-oic acid;UNII-224FTK48U6;224FTK48U6;Dicyclopenta(a,d)cyclooctene-4-carboxylic acid, 7-((1S)-1,5-dimethyl-4-hexenyl)-3,5,6,6a,7,8,9,9a,10,10a-decahydro-5-hydroxy-1,9a-dimethyl-3-oxo-, (6aS,7R,9aR,10aR)-;(1R,3R,7Z,11S,12R)-9-hydroxy-1,4-dimethyl-12-[(2S)-6-methylhept-5-en-2-yl]-6-oxotricyclo[9.3.0.03,7]tetradeca-4,7-diene-8-carboxylic acid;Q27253602

Suppliers and Price of Cephalonic acid

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 2 raw suppliers

Chemical Property of Cephalonic acid

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:139°
Boiling Point:553.212°C at 760 mmHg
Flash Point:302.432°C
PSA：74.60000
Density:1.133g/cm³
LogP:5.08250
XLogP3:5.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:400.26135963
Heavy Atom Count:29
Complexity:783

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=O)C2=C(C(CC3C(CCC3(CC12)C)C(C)CCC=C(C)C)O)C(=O)O
Isomeric SMILES:CC1=CC(=O)/C/2=C(/C(C[C@H]3[C@H](CC[C@@]3(C[C@H]12)C)[C@@H](C)CCC=C(C)C)O)\C(=O)O

Technology Process of Cephalonic acid

There total 1 articles about Cephalonic acid 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:

: 18456-04-7,24436-08-6
Cephalonsaeure

Guidance literature:: Biochem. durch Cephalosporium Caerulens;
DOI:10.1016/S0040-4039(01)89701-X

Reference yield:

: 18456-04-7,24436-08-6
ophiobolin D

: 34214-12-5,74806-72-7
4-Bromo-benzenesulfonic acid (2R,3aR,4R,6aR,7aR,10S,10aS)-4-((S)-1,5-dimethyl-hex-4-enyl)-10-hydroxy-6a,8-dimethyl-2,3,5,6,6a,7,7a,10-octahydro-1H,4H-dicyclopenta[a,h]pentalen-2-yl ester

Guidance literature:: Multi-step reaction with 5 steps

1: 3.3 g / Kiliani's reagent / acetone

2: 20 percent / 0.67 h / 130 °C

3: 150 mg / tert-BuOK / 2-methyl-propan-2-ol / 0.5 h / Ambient temperature

4: 80 mg / LiAlH₄ / diethyl ether / 1 h

5: 11.5 mg / pyridine / 2 h / Ambient temperature

With lithium aluminium tetrahydride; Kiliani's reagent; potassium tert-butylate; In pyridine; diethyl ether; acetone; tert-butyl alcohol;
DOI:10.1248/cpb.28.1043