Tert-butyl 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylate
• CAS No.: 193902-81-7
• Molecular Formula: C15H22ClN3O2
• Molecular Weight: 311.812
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID50596221
• Wikidata: Q82491426
• Mol file: 193902-81-7.mol

Synonyms:193902-81-7;tert-butyl 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylate;4-(4-Boc-piperazin-1-yl)-3-chloroaniline;SCHEMBL993225;DTXSID50596221;AHXKEIKOXAWOMF-UHFFFAOYSA-N;MFCD11519255;AKOS015909436;DB-065836;A4266;CS-0208156;tert-butyl4-(4-amino-2-chlorophenyl)piperazine-1-carboxylate;4-(4-amino-2-chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester;4-(4-Amino-2-Chlorophenyl)-1-Piperazinecarboxylic Acid 1,1-Dimethylethyl Ester

Chemical Property of Tert-butyl 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylate

Chemical Property:

• Vapor Pressure: 6.57E-09mmHg at 25°C
• Refractive Index: 1.574
• Boiling Point: 467.3 °C at 760 mmHg
• PKA: 6.63±0.10(Predicted)
• Flash Point: 236.4 °C
• PSA: 58.80000
• Density: 1.226 g/cm³
• LogP: 3.56340
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 311.1400546
• Heavy Atom Count: 21
• Complexity: 364

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylate

There total 6 articles about Tert-butyl 4-(4-amino-2-chlorophenyl)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: 73.0%

tert-butyl 4-(2-chloro-4-nitro-phenyl)piperazine-1-carboxylate (193902-80-6) → 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester (193902-81-7)

Guidance literature:

tert-butyl 4-(2-chloro-4-nitro-phenyl)piperazine-1-carboxylate; With acetic acid; zinc; In tetrahydrofuran; methanol; at 20 ℃; for 1h;

With sodium hydrogencarbonate; In tetrahydrofuran; methanol; water; for 1h;

Reference yield:

3-chloro-4-fluoronitrobenzene (350-30-1) → 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester (193902-81-7)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-diisopropylethylamine / acetonitrile / 14 h / Heating

2: H₂ / Ra-Ni / tetrahydrofuran / 5 h / 20 °C / 2585.74 Torr

With hydrogen; N-ethyl-N,N-diisopropylamine; Ra-Ni; In tetrahydrofuran; acetonitrile;

DOI:10.1021/jm049355+

Reference yield:

1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester (193902-81-7)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-diisopropylethylamine / acetonitrile / 14 h / Heating

2: H₂ / Ra-Ni / tetrahydrofuran / 5 h / 20 °C / 2585.74 Torr

With hydrogen; N-ethyl-N,N-diisopropylamine; Ra-Ni; In tetrahydrofuran; acetonitrile;

DOI:10.1021/jm049355+

upstream raw materials:

tert-butyl 4-(2-chloro-4-nitro-phenyl)piperazine-1-carboxylate

3-chloro-4-fluoronitrobenzene

1-t-Butoxycarbonylpiperazine

1-bromo-2-chloro-4-nitrobenzene

Downstream raw materials:

4-[2-chloro-4-(8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-ylamino)phenyl]-piperazine-1-carboxylic acid tert-butyl ester

C₂₅H₃₂ClN₃O₃

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 193902-81-7 4-(4-Boc-piperazin-1-yl)-3-chloroaniline

Send

Send

Metric Ton KG G Pound L ML

Send

Send