Tert-butyl 4-(2-chloro-6-formylphenyl)piperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(2-chloro-6-formylphenyl)piperazine-1-carboxylate
• CAS No.: 869478-15-9
• Molecular Formula: C₁₆H₂₁ClN₂O₃
• Molecular Weight: 324.807
• DSSTox Substance ID: DTXSID901158007
• Mol file: 869478-15-9.mol

Synonyms:869478-15-9;SCHEMBL12283760;DTXSID901158007;1,1-Dimethylethyl 4-(2-chloro-6-formylphenyl)-1-piperazinecarboxylate

Chemical Property of Tert-butyl 4-(2-chloro-6-formylphenyl)piperazine-1-carboxylate

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 324.1240702
• Heavy Atom Count: 22
• Complexity: 403

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)C=O

Technology Process of Tert-butyl 4-(2-chloro-6-formylphenyl)piperazine-1-carboxylate

There total 2 articles about Tert-butyl 4-(2-chloro-6-formylphenyl)piperazine-1-carboxylate 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: 20.0%

2-fluoro-3-chlorobenzaldehyde (85070-48-0) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(2-chloro-6-formyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester (869478-15-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 12h;

DOI:10.1021/jo051514p

Reference yield:

→ 4-(2-chloro-6-formyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester (869478-15-9)

Guidance literature:

Reference yield: 100.0%

4-(2-chloro-6-formyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester (869478-15-9) + (R)-2-methylpropane-2-sulfinamide (196929-78-9) → 4-{2-chloro-6-[((RS)-2-methyl-propane-2-sulfinylimino)-methyl]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:

With titanium(IV) tetraethanolate; In tetrahydrofuran; ethanol; at 20 ℃; for 24h;

DOI:10.1021/jo051514p

upstream raw materials:

2-fluoro-3-chlorobenzaldehyde

1-t-Butoxycarbonylpiperazine

Downstream raw materials:

(Z)-tert-butyl 4-(2-chloro-6-((2,4-dioxothiazolidin-5-ylidene)methyl)phenyl)piperazine-1-carboxylate