Suloxifen

Base Information

• Chemical Name: Suloxifen
• CAS No.: 25827-12-7
• Molecular Formula: C₁₈H₂₄N₂OS
• Molecular Weight: 316.467
• UNII: LD18TA6Q06
• DSSTox Substance ID: DTXSID60865253
• Nikkaji Number: J20.092A
• Wikidata: Q27282920
• NCI Thesaurus Code: C76575
• ChEMBL ID: CHEMBL2111056
• Mol file: 25827-12-7.mol

Synonyms:Suloxifen;Suloxifen [INN];25827-12-7;UNII-LD18TA6Q06;LD18TA6Q06;N-(2-(Diethylamino)ethyl)-S,S-diphenylsulfoximine;N,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine;Sulfoximine, N-(2-(diethylamino)ethyl)-S,S-diphenyl;SCHEMBL1811867;CHEMBL2111056;DTXSID60865253;Q27282920;Sulfoximine, N-[2-(diethylamino)ethyl]-S,S-diphenyl-;N,N-Diethyl-2-{[oxo(diphenyl)-lambda~6~-sulfanylidene]amino}ethan-1-amine

Chemical Property of Suloxifen

Chemical Property:

• Vapor Pressure: 7.35E-08mmHg at 25°C
• Boiling Point: 437.7°Cat760mmHg
• Flash Point: 218.5°C
• PSA: 41.05000
• Density: 1.04g/cm³
• LogP: 4.78010
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 316.16093457
• Heavy Atom Count: 22
• Complexity: 389

Purity/Quality:

99% ^*data from raw suppliers

SULOXIFEN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCN=S(=O)(C1=CC=CC=C1)C2=CC=CC=C2

Technology Process of Suloxifen

There total 4 articles about Suloxifen 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: 25.0%

S,S-diphenylsulphoximine (22731-83-5) + 2-bromo-N,N-diethylethanamine hydrobromide (1069-72-3) → N-(N’,N’-diethylamino)-S,S-diphenylsulfoximine (25827-12-7)

Guidance literature:

S,S-diphenylsulphoximine; With potassium hydroxide; In dimethyl sulfoxide; for 0.0833333h; Inert atmosphere; Schlenk technique;

2-bromo-N,N-diethylethanamine hydrobromide; In dimethyl sulfoxide; at 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.201400193

Reference yield:

diphenyl sulphone (127-63-9) → N-(N’,N’-diethylamino)-S,S-diphenylsulfoximine (25827-12-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaN₃, polyphosphoric acid

2: (i) NaH, toluene, (ii) /BRN= 605300/

With sodium azide; PPA;

Reference yield:

S,S-diphenylsulphoximine (22731-83-5) + 2-(diethylamino)ethyl chloride (100-35-6) → N-(N’,N’-diethylamino)-S,S-diphenylsulfoximine (25827-12-7)

Guidance literature:

Multistep reaction; (i) NaH, toluene, (ii) /BRN= 605300/;

upstream raw materials:

S,S-diphenylsulphoximine

2-(diethylamino)ethyl chloride

diphenyl sulphone

2-bromo-N,N-diethylethanamine hydrobromide

Downstream raw materials:

C₂₀H₂₉N₂OS⁽¹⁺⁾*C₂H₅O₄S^(1-)