Smenospongine

Base Information

Chemical Name:Smenospongine
CAS No.:113021-53-7
Molecular Formula:C21H29 N O3
Molecular Weight:343.466
Hs Code.:
DSSTox Substance ID:DTXSID20920978
Nikkaji Number:J1.373.726F
Wikidata:Q82893696,Q105157055
ChEMBL ID:CHEMBL3309304
Mol file:113021-53-7.mol

Synonyms:smenospongine

Suppliers and Price of Smenospongine

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 Smenospongine

Chemical Property:

Vapor Pressure:1.64E-08mmHg at 25°C
Boiling Point:412.1°Cat760mmHg
Flash Point:203°C
PSA：80.39000
Density:1.16g/cm³
LogP:4.68210
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:343.21474379
Heavy Atom Count:25
Complexity:717

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC2(C(C1(C)CC3=C(C(=CC(=O)C3=O)N)O)CCCC2=C)C
Isomeric SMILES:C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C(=CC(=O)C3=O)N)O)CCCC2=C)C

Technology Process of Smenospongine

There total 7 articles about Smenospongine 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: 85.0%

: 71678-03-0,96806-31-4,106189-92-8
ilimaquinone

: 113021-53-7
smenospongine

Guidance literature:: With pyridine; ammonium hydroxide; In ethanol; for 20h; Ambient temperature;
DOI:10.1007/BF00605196

Reference yield: 65.0%

: 71678-03-0
ilimaquinone

: (5S,9R)-(2-hydroxy-5-amino-1-imino-quinon-3-yl)-14(4→5),15(10→9)-bisabeodriman-4(13)ene

: 113021-53-7
trans-4,9-friedodrim-4(15)-ene

Guidance literature:: With ammonium hydroxide; In acetonitrile; for 16h; Inert atmosphere;
DOI:10.1002/ejoc.201800047

Reference yield:

: (4a′S,5′R,6′S,8a′S)-5′-[3,6-dimethoxy-2-(methoxymethoxy)-benzyl]-5′,6′,8a′-trimethyloctahydro-2′H-spiro[[1,3]dioxolane-2,1′-naphthalene]

: 113021-53-7
trans-4,9-friedodrim-4(15)-ene

Guidance literature:: Multi-step reaction with 5 steps

1.1: hydrogenchloride / water / 15 h / 20 °C

2.1: potassium tert-butylate / benzene / 1 h / Reflux; Inert atmosphere

2.2: 0.5 h / Reflux; Inert atmosphere

3.1: salcomine; oxygen / N,N-dimethyl-formamide / 2.5 h / 20 °C / 760.05 Torr

4.1: potassium tert-butylate / tetrahydrofuran / 0.5 h / 20 °C

5.1: potassium hydroxide / methanol; tetrahydrofuran; water / 6 h / 20 - 40 °C

With hydrogenchloride; salcomine; potassium tert-butylate; oxygen; potassium hydroxide; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide; benzene; 2.1: |Wittig Olefination / 2.2: |Wittig Olefination;
DOI:10.1002/ejoc.201700609