2-[5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitrophenyl]-propanedioic Acid 1,3-DiMethyl Ester

Base Information

• Chemical Name: 2-[5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitrophenyl]-propanedioic Acid 1,3-DiMethyl Ester
• CAS No.: 160384-39-4
• Molecular Formula: C₂₄H₂₅ClN₄O₆S
• Molecular Weight: 533.005
• Mol file: 160384-39-4.mol

Synonyms:5-Chloro-4-(2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl)-2-(bis-(methoxycarbonyl)methyl)-nitrobenzene

Chemical Property of 2-[5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitrophenyl]-propanedioic Acid 1,3-DiMethyl Ester

Chemical Property:

• Solubility.: Dichloromethane, Methanol

Purity/Quality:

2-[5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitrophenyl]-propanedioicAcid1,3-DimethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-[5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitrophenyl]-propanedioic Acid 1,3-DiMethyl Ester

There total 6 articles about 2-[5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitrophenyl]-propanedioic Acid 1,3-DiMethyl Ester 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: 45.0%

2,5-Dichloro-4-(2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl)-nitrobenzene (160384-38-3) + malonic acid dimethyl ester (108-59-8) → 5-Chloro-4-(2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl)-2-(bis-(methoxycarbonyl)methyl)-nitrobenzene (160384-39-4)

Guidance literature:

With potassium hydroxide; nitrogen; In 1-Methylpyrrolidine;

Reference yield: 45.0%

2,5-Dichloro-4-(2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl)-nitrobenzene (160384-38-3) + malonic acid dimethyl ester (108-59-8) → 2-[5-(3,3-Bis-methoxycarbonyl-propyl)-4-chloro-2-nitro-phenyl]-malonic acid dimethyl ester + 5-Chloro-4-(2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl)-2-(bis-(methoxycarbonyl)methyl)-nitrobenzene (160384-39-4)

Guidance literature:

With potassium hydroxide; In various solvent(s); at 40 - 45 ℃; for 5h; solvent: N-methyl-pyrrolidinone;

DOI:10.1080/00397919608003533

Reference yield:

2,5-dichlorotoluene (19398-61-9) → 5-Chloro-4-(2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl)-2-(bis-(methoxycarbonyl)methyl)-nitrobenzene (160384-39-4)

Guidance literature:

Multi-step reaction with 5 steps

1: 56 percent / conc. H₂SO₄, HNO₃ / acetic acid / 2 h / Ambient temperature

2: 58 percent / tetrahydrofuran / 8 h / Heating

3: 93 percent / acetic acid / Ambient temperature

4: 71 percent / acetic acid, sodium triacetoxyborohydride / 1,2-dichloro-ethane

5: 45 percent / potassium hydroxide / various solvent(s) / 5 h / 40 - 45 °C / solvent: N-methyl-pyrrolidinone

With potassium hydroxide; sulfuric acid; nitric acid; sodium tris(acetoxy)borohydride; acetic acid; In tetrahydrofuran; acetic acid; 1,2-dichloro-ethane;

DOI:10.1080/00397919608003533

upstream raw materials:

2,5-Dichloro-4-(2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl)-nitrobenzene

malonic acid dimethyl ester

2,5-dichlorotoluene

2,5-dichloro-4-nitrotoluene

Downstream raw materials:

methyl 5-{2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl}-4-chloro-2-nitrophenyl acetate

ziprazidone

5-(2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl)-4-chloro-2-nitrophenyl acetic acid