2-Azetidinone, 1-(20-alpha-(dimethylamino)-4-oxo-5-alpha-pregnan-3-beta-yl)-3-isopropyl-, (3R)-

Base Information

• Chemical Name: 2-Azetidinone, 1-(20-alpha-(dimethylamino)-4-oxo-5-alpha-pregnan-3-beta-yl)-3-isopropyl-, (3R)-
• CAS No.: 6156-99-6
• Molecular Formula: C29H48N2O2
• Molecular Weight: 456.7
• DSSTox Substance ID: DTXSID00977142
• Wikidata: Q82962220

Synonyms:Pachystermine A;2-Azetidinone, 1-(20-alpha-(dimethylamino)-4-oxo-5-alpha-pregnan-3-beta-yl)-3-isopropyl-, (3R)-;6156-99-6;DTXSID00977142;LS-23153;20-(Dimethylamino)-3-[2-oxo-3-(propan-2-yl)azetidin-1-yl]pregnan-4-one

Chemical Property of 2-Azetidinone, 1-(20-alpha-(dimethylamino)-4-oxo-5-alpha-pregnan-3-beta-yl)-3-isopropyl-, (3R)-

Chemical Property:

• Vapor Pressure: 1.33E-12mmHg at 25°C
• Melting Point: 220-4°C
• Boiling Point: 560.7°C at 760 mmHg
• Flash Point: 207.5°C
• PSA: 40.62000
• Density: 1.06g/cm³
• LogP: 5.19530
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 456.37157878
• Heavy Atom Count: 33
• Complexity: 807

Purity/Quality:

96% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CN(C1=O)C2CCC3(C4CCC5(C(C4CCC3C2=O)CCC5C(C)N(C)C)C)C
• Isomeric SMILES: CC(C)[C@@H]1CN(C1=O)[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC[C@H]3C2=O)CC[C@H]5C(C)N(C)C)C)C
• Description: This alkaloid is the major base found in Pachysandra terminalis Sieb. et Zucco Like the other alkaloids present in this plant, it contains the pregnane skeleton. It is dextrorotatory with [α]D + 24° (CHCI 3). It has two keto groups in the molecule, one being present in a four-membered ring. Reduction with NaBH4 furnishes Pachystermine B (q.v.). The structure has been confirmed by the partial synthesis of the alkaloid.

Technology Process of 2-Azetidinone, 1-(20-alpha-(dimethylamino)-4-oxo-5-alpha-pregnan-3-beta-yl)-3-isopropyl-, (3R)-

There total 2 articles about 2-Azetidinone, 1-(20-alpha-(dimethylamino)-4-oxo-5-alpha-pregnan-3-beta-yl)-3-isopropyl-, (3R)- 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:

→ Pachystermin-A (6156-99-6)

Guidance literature:

Pachystermin-B, CrO3;

DOI:10.1016/S0040-4039(01)98824-0

Reference yield:

→ pachystermine A (6156-99-6)

Guidance literature:

Pachystermin B/Eg., Chrom(VI)-oxid, wenig W.;

DOI:10.1248/cpb.15.549

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