Neoambrosin

Base Information

Chemical Name:Neoambrosin
CAS No.:18446-70-3
Molecular Formula:C₁₅H₁₈O₃
Molecular Weight:246.306
Hs Code.:
DSSTox Substance ID:DTXSID10171578
Nikkaji Number:J596.436I
Wikidata:Q83041658
Metabolomics Workbench ID:127829
ChEMBL ID:CHEMBL2286471
Mol file:18446-70-3.mol

Synonyms:Neoambrosin;Anhydrocoronopilin;Dehydrocoronopilin;Coronopilin, anhydro-;Coronopilin, dehydro-;18446-70-3;CHEMBL2286471;DTXSID10171578;(3aS,6S,9aR,9bR)-6,9a-dimethyl-3-methylidene-3a,4,5,6,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione

Suppliers and Price of Neoambrosin

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 Neoambrosin

Chemical Property:

Vapor Pressure:1.97E-07mmHg at 25°C
Boiling Point:425.1°C at 760 mmHg
Flash Point:190.5°C
Density:1.17g/cm³
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:246.125594432
Heavy Atom Count:18
Complexity:488

Purity/Quality:: ≥98% （HPLC） ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC2C(C3(C1=CCC3=O)C)OC(=O)C2=C
Isomeric SMILES:C[C@H]1CC[C@@H]2[C@H]([C@]3(C1=CCC3=O)C)OC(=O)C2=C

Technology Process of Neoambrosin

There total 3 articles about Neoambrosin 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: 72.0%

: 508-59-8,20555-04-8,69401-55-4,69401-56-5,93665-22-6
parthenin

: 18446-70-3
neoambrosin

: 72247-61-1
anhydroparthenin

Guidance literature:: With acetic acid; zinc; at 80 ℃; for 6h;
DOI:10.1016/S0040-4020(99)00292-6

Reference yield: 56.0%

: 509-93-3
ambrosin

: 18446-70-3
neoambrosin

Guidance literature:: With diisopropylamine; In tetrahydrofuran; for 30h; Heating;
DOI:10.1021/jm00017a025

Reference yield:

: 4861-79-4
magnesium methyl carbonate

: (3aS,6S,9aR,9bR)-6,9a-dimethyl-3,3a,4,5,6,8,9a,9b-octahydroazureno<4,5-b>furan-2,9-dione 9-ethylen acetal

: 18446-70-3
neoambrosin

Guidance literature:: With formaldehyd; sodium acetate; acetic acid; diethylamine; Yield given. Multistep reaction; 1.) DMF, 140 degC, 3 h; 2.) 110 degC, 15 min;
DOI:10.1016/0040-4020(95)00068-J