Paspaline

Base Information

Chemical Name:Paspaline
CAS No.:11024-56-9
Molecular Formula:C₂₈H₃₉NO₂
Molecular Weight:421.623
Hs Code.:
UNII:3Q9SGU351D
DSSTox Substance ID:DTXSID70911553
Nikkaji Number:J636.874C
Wikidata:Q76010045
Metabolomics Workbench ID:110906
ChEMBL ID:CHEMBL2408947
Mol file:11024-56-9.mol

Synonyms:paspaline

Suppliers and Price of Paspaline

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 5 raw suppliers

Chemical Property of Paspaline

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:264 °C
Boiling Point:552.7°Cat760mmHg
PKA:14.56±0.29(Predicted)
Flash Point:288.1°C
PSA：45.25000
Density:1.141g/cm³
LogP:6.13280
XLogP3:6.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:421.298079487
Heavy Atom Count:31
Complexity:737

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC(OC1CCC3(C2CCC4C3(C5=C(C4)C6=CC=CC=C6N5)C)C)C(C)(C)O
Isomeric SMILES:C[C@@]12CC[C@H](O[C@H]1CC[C@]3([C@H]2CC[C@@H]4[C@@]3(C5=C(C4)C6=CC=CC=C6N5)C)C)C(C)(C)O

Technology Process of Paspaline

There total 64 articles about Paspaline 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: 89.0%

: 95217-64-4
16χ-(2-aminophenyl)-3α-(1-hydroxy-1-methylethyl)-8,14-dimethyl-18-nor-4-oxa-5β,8α,9β,10α,13α,14β-androstan-15-one

: 11024-56-9
paspaline

Guidance literature:: With toluene-4-sulfonic acid; In dichloromethane; at 50 ℃; for 16h; Sealed tube;
DOI:10.1021/acs.joc.5b01844

Reference yield: 88.0%

: C₂₈H₃₇NO₂

: 11024-56-9
paspaline

Guidance literature:: With triethylsilane; titanium tetrachloride; In dichloromethane; at 0 ℃; Sealed tube; Inert atmosphere;
DOI:10.1021/jacs.8b13127

Reference yield:

: 95217-46-2
3α-(1-hydroxy-1-methylethyl)-8,14-dimethyl-18-nor-4-oxa-5β,8α,9β,10α,13α,14β-androstan-15-one

: 11024-56-9
paspaline

Guidance literature:: Multi-step reaction with 3 steps

1: 92 percent / LDA / tetrahydrofuran; hexamethylphosphoric acid triamide

3: 83 percent / PTSA / CH₂Cl₂ / Heating

With toluene-4-sulfonic acid; lithium diisopropyl amide; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; dichloromethane;
DOI:10.1021/ja00292a058