1-Boc-4-(4-Bromo-2-formylphenyl)piperazine

Base Information

• Chemical Name: 1-Boc-4-(4-Bromo-2-formylphenyl)piperazine
• CAS No.: 628326-05-6
• Molecular Formula: C16H21 Br N2 O3
• Molecular Weight: 369.258
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID40462840
• Mol file: 628326-05-6.mol

Synonyms:628326-05-6;1-Boc-4-(4-Bromo-2-formylphenyl)piperazine;tert-butyl 4-(4-bromo-2-formylphenyl)piperazine-1-carboxylate;2-(4-Boc-piperazino-1-yl)-5-bromobenzaldehyde;C16H21BrN2O3;SCHEMBL3691360;DTXSID40462840;ZFUYWWRCIVQVAZ-UHFFFAOYSA-N;MFCD09817615;AKOS015919476;DS-0380;AM20050583;FT-0645626;2-(4-Boc-piperazine-1-yl)-5-bromobenzaldehyde;tert-butyl4-(4-bromo-2-formylphenyl)piperazine-1-carboxylate;1-Piperazinecarboxylicacid,4-(4-bromo-2-formylphenyl)-,1,1-dimethylethyl ester

Chemical Property of 1-Boc-4-(4-Bromo-2-formylphenyl)piperazine

Chemical Property:

• PSA: 49.85000
• LogP: 3.32160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 368.07356
• Heavy Atom Count: 22
• Complexity: 403

Purity/Quality:

97% ^*data from raw suppliers

1-Boc-4-(4-bromo-2-formylphenyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Br)C=O

Technology Process of 1-Boc-4-(4-Bromo-2-formylphenyl)piperazine

There total 1 articles about 1-Boc-4-(4-Bromo-2-formylphenyl)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:

piperazine (110-85-0) + di-tert-butyl dicarbonate (24424-99-5) + 5-bromo-2-fluorobenzaldehyde (93777-26-5) → 4-(4-bromo-2-formylphenyl)piperazine-1-carboxylic acid tert-butyl ester (628326-05-6)

Guidance literature:

piperazine; 5-bromo-2-fluorobenzaldehyde; With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; at 150 ℃; for 1h; Inert atmosphere;

di-tert-butyl dicarbonate; In 1-methyl-pyrrolidin-2-one; at 20 ℃; for 0.5h;

Reference yield: 100.0%

4-(4-bromo-2-formylphenyl)piperazine-1-carboxylic acid tert-butyl ester (628326-05-6) + 3,5-dimethylphenyl boronic acid (172975-69-8) → 4-(3-formyl-3',5'-dimethylbiphenyl-4-yl)piperazine-1-carboxylic acid tert-butyl ester (628325-65-5)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In 1,2-dimethoxyethane; Heating;

DOI:10.1021/jm049424k

Reference yield:

4-(4-bromo-2-formylphenyl)piperazine-1-carboxylic acid tert-butyl ester (628326-05-6) → tert-butyl 4-[4-bromo-2-(difluoromethyl)phenyl]piperazine-1-carboxylate (1374342-38-7)

Guidance literature:

With diethylamino-sulfur trifluoride; In dichloromethane; at 20 ℃;

upstream raw materials:

piperazine

di-tert-butyl dicarbonate

5-bromo-2-fluorobenzaldehyde

Downstream raw materials:

4-(3-formyl-3',5'-dimethylbiphenyl-4-yl)piperazine-1-carboxylic acid tert-butyl ester

4-(3-{3-[3-(2-dimethylamino-ethylamino)-phenyl]-3-oxo-propenyl}-3',5'-dimethyl-biphenyl-4-yl)-piperazine-1-carboxylic acid tert-butyl ester

tert-butyl 4-[4-bromo-2-(difluoromethyl)phenyl]piperazine-1-carboxylate

tert-butyl-4-[2-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate