Ligularol

Base Information

Chemical Name:Ligularol
CAS No.:4176-11-8
Molecular Formula:C15H22O2
Molecular Weight:234.33398
Hs Code.:
NSC Number:672986
Nikkaji Number:J20.413G
Wikidata:Q104915240
Metabolomics Workbench ID:126022
ChEMBL ID:CHEMBL1993259
Mol file:4176-11-8.mol

Synonyms:Ligularol;NSC672986;CHEMBL1993259;NSC-672986;NCI60_025867

Suppliers and Price of Ligularol

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 1 raw suppliers

Chemical Property of Ligularol

Chemical Property:

PSA：33.37000
LogP:3.62000
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:234.161979940
Heavy Atom Count:17
Complexity:303

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCCC2C1(C(C3=C(C2)OC=C3C)O)C
Isomeric SMILES:C[C@H]1CCC[C@H]2[C@@]1([C@@H](C3=C(C2)OC=C3C)O)C

Technology Process of Ligularol

There total 5 articles about Ligularol 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: 84.0%

: 79243-31-5,79298-25-2
(1'α,2'α,3'β)-5-<<<2',3'-dimethyl-2'-(1''β-hydroxy-2''-butynyl)>cyclohexyl>methyl>oxazole

: 4176-11-8
furanoeremophilan-6β-ol

Guidance literature:: Heating;
DOI:10.1021/ja00405a067

Reference yield:

: 79243-34-8
(1'α,2'α,3'β)-5-<<2',3'-dimethyl-2'-(hydroxymethyl)cyclohexyl>methyl>oxazole

: 4176-11-8
furanoeremophilan-6β-ol

Guidance literature:: Multi-step reaction with 3 steps

1: 99 percent / (COCl)2 / dimethylsulfoxide

2: tetrahydrofuran

3: 84 percent / Heating

With oxalyl dichloride; In tetrahydrofuran; dimethyl sulfoxide;
DOI:10.1021/ja00405a067

Reference yield:

: 79243-35-9,94129-17-6,113775-84-1
(4aβ,8β,8aβ)-1,4,4a,5,6,7,8,8a-octahydro-8,8a-dimethyl-3H-2-benzopyran-3-one

: 4176-11-8
furanoeremophilan-6β-ol

Guidance literature:: Multi-step reaction with 4 steps

1: 51 percent / tetrahydrofuran; dimethylformamide

2: 99 percent / (COCl)2 / dimethylsulfoxide

3: tetrahydrofuran

4: 84 percent / Heating

With oxalyl dichloride; In tetrahydrofuran; dimethyl sulfoxide; N,N-dimethyl-formamide;
DOI:10.1021/ja00405a067