SZ4TA2

Base Information

• Chemical Name: SZ4TA2
• CAS No.: 406231-90-1
• Molecular Formula: C28H32N4O5S2
• Molecular Weight: 568.70700
• Mol file: 406231-90-1.mol

Synonyms:SZ4TA2;4-(4,4-dimethylpiperidin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide;Benzamide, 4-(4,4-dimethyl-1-piperidinyl)-N-[[3-nitro-4-[[2-(phenylthio)ethyl]amino]phenyl]sulfonyl]-

Chemical Property of SZ4TA2

Chemical Property:

• PKA: 3.78±0.10(Predicted)
• PSA: 158.01000
• Density: 1.37±0.1 g/cm3(Predicted)
• LogP: 7.67700

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of SZ4TA2

There total 13 articles about SZ4TA2 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: 44.0%

4-(4,4-dimethylpiperidin-1-yl)benzoic acid (406233-26-9) + 3-nitro-4-(2-phenylsulfanylethylamino)-benzenesulfonamide (406233-13-4) → N-[4-(4,4-dimethyl-piperidin-1-yl)-benzoyl]-3-nitro-4-(2-phenylsulfanyl-ethylamino)-benzenesulfonamide (406231-90-1)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; for 16h; Inert atmosphere;

DOI:10.1021/ja802683u

Reference yield:

4-fluoro-3-nitrobenzenesulfonamide (406233-31-6) → N-[4-(4,4-dimethyl-piperidin-1-yl)-benzoyl]-3-nitro-4-(2-phenylsulfanyl-ethylamino)-benzenesulfonamide (406231-90-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / DIPEA / dimethylsulfoxide / 16 h / 20 °C

2: EDCI; DMAP / CH₂Cl₂ / 24 h / 20 °C

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; dimethyl sulfoxide;

DOI:10.1021/jm050754u

Reference yield:

ethyl 4-(4,4-dimethylpiperidin-1-yl)benzoate (406233-25-8) → N-[4-(4,4-dimethyl-piperidin-1-yl)-benzoyl]-3-nitro-4-(2-phenylsulfanyl-ethylamino)-benzenesulfonamide (406231-90-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / aq. LiOH / tetrahydrofuran; methanol / 18 h / 20 °C

2: EDCI; DMAP / CH₂Cl₂ / 24 h / 20 °C

With dmap; lithium hydroxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1021/jm050754u

upstream raw materials:

4-(4,4-dimethylpiperidin-1-yl)benzoic acid

3-nitro-4-(2-phenylsulfanylethylamino)-benzenesulfonamide

4-fluoro-3-nitrobenzenesulfonamide

ethyl 4-(4,4-dimethylpiperidin-1-yl)benzoate