4-Boc-1-[(3-Bromobenzene)sulfonyl]piperazine

Base Information

• Chemical Name: 4-Boc-1-[(3-Bromobenzene)sulfonyl]piperazine
• CAS No.: 937014-80-7
• Molecular Formula: C15H21BrN2O4S
• Molecular Weight: 405
• Hs Code.: 2935009090
• Mol file: 937014-80-7.mol

Synonyms:4-Boc-1-[(3-Bromobenzene)sulfonyl]piperazine;tert-butyl 4-(3-broMophenylsulfonyl)piperazine-1-carboxylate

Chemical Property of 4-Boc-1-[(3-Bromobenzene)sulfonyl]piperazine

Chemical Property:

• Boiling Point: 495.2±55.0 °C(Predicted)
• PKA: -0.97±0.70(Predicted)
• PSA: 75.30000
• Density: 1.451±0.06 g/cm3(Predicted)
• LogP: 3.64710

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl 4-(3-bromophenylsulfonyl)piperazine-1-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Boc-1-[(3-Bromobenzene)sulfonyl]piperazine

There total 3 articles about 4-Boc-1-[(3-Bromobenzene)sulfonyl]piperazine 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: 98.0%

3-Bromobenzenesulfonyl chloride (2905-24-0) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-(3-bromophenyl)sulfonylpiperazine-1-carboxylate (937014-80-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 ℃;

DOI:10.1021/jm300403a

Reference yield:

m-Bromoaniline (591-19-5) → tert-butyl 4-(3-bromophenyl)sulfonylpiperazine-1-carboxylate (937014-80-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride; sodium nitrite / water / 1 h / 0 °C

1.2: 2.25 h / 0 - 20 °C

2.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 °C

With hydrogenchloride; N-ethyl-N,N-diisopropylamine; sodium nitrite; In dichloromethane; water;

DOI:10.1021/jm300403a

Reference yield:

→ tert-butyl 4-(3-bromophenyl)sulfonylpiperazine-1-carboxylate (937014-80-7)

Guidance literature:

upstream raw materials:

3-Bromobenzenesulfonyl chloride

1-t-Butoxycarbonylpiperazine

m-Bromoaniline

Downstream raw materials:

5-(3-(4-(3-(4-isopropylphenyl)pyrazin-2-yl)piperazin-1-ylsulfonyl)phenyl)pyrimidin-2-amine

C₁₉H₂₅N₅O₄S

C₁₈H₁₈ClN₇O₂S

C₂₁H₃₃BN₂O₆S