tert-Butyl 4-(4-(aminomethyl)phenyl)piperazine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 4-(4-(aminomethyl)phenyl)piperazine-1-carboxylate
• CAS No.: 852180-47-3
• Molecular Formula: C16H25 N3 O2
• Molecular Weight: 291.393
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID00377163
• Wikidata: Q82166261
• Mol file: 852180-47-3.mol

Synonyms:852180-47-3;tert-Butyl 4-(4-(aminomethyl)phenyl)piperazine-1-carboxylate;1-Boc-4-(4-Aminomethylphenyl)piperazine;TERT-BUTYL 4-[4-(AMINOMETHYL)PHENYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE;Tert-butyl 4-[4-(aminomethyl)phenyl]piperazine-1-carboxylate;4-(4-Boc-Piperazino)benzylamine;1-Boc-4-(4-aminomethyl-phenyl)-piperazine;MFCD03791213;SCHEMBL1019005;4-(4-BOC-Pyrazino)benzylamine;DTXSID00377163;TTXMFUXVXBAVIP-UHFFFAOYSA-N;AB3303;AKOS005070341;AB16187;AC-7272;SY005456;CS-0213425;FT-0680325;EN300-4346650;3W-0305;A841259;J-524667;1-(4-aminomethylphenyl)piperazine-4-carboxylic acid tert-butyl ester;4-(4-aminomethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester;TERT-BUTYL 4-(4-(AMINOMETHYL)PHENYL) PIPERAZINE-1-CARBOXYLATE;tert-Butyl 4-[4-(aminomethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxylate, AldrichCPR;tert-butyl 4-[4-(aminomethyl)phenyl]piperazine-2-carboxylate

Chemical Property of tert-Butyl 4-(4-(aminomethyl)phenyl)piperazine-1-carboxylate

Chemical Property:

• Vapor Pressure: 5.62E-08mmHg at 25°C
• Melting Point: 95-96°C
• Boiling Point: 441°C at 760 mmHg
• PKA: 10.40±0.10(Predicted)
• Flash Point: 220.5°C
• PSA: 58.80000
• Density: 1.121g/cm³
• LogP: 2.90560
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 291.19467705
• Heavy Atom Count: 21
• Complexity: 338

Purity/Quality:

97% ^*data from raw suppliers

1-Boc-4-(4-Aminomethylphenyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 36/37/38-25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of tert-Butyl 4-(4-(aminomethyl)phenyl)piperazine-1-carboxylate

There total 5 articles about tert-Butyl 4-(4-(aminomethyl)phenyl)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: 100.0%

tert-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate (186650-98-6) → tert-butyl 4-[4-(aminomethyl)phenyl]piperazine-1-carboxylate (852180-47-3)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 4h; under 2327.23 Torr;

Reference yield:

4-fluorobenzonitrile (1194-02-1,143234-87-1) → tert-butyl 4-[4-(aminomethyl)phenyl]piperazine-1-carboxylate (852180-47-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / K₂CO₃ / dimethylsulfoxide / 8 h / 90 °C

2: H₂; LiOH / Raney-Ni; Pd/C / ethyl acetate

With lithium hydroxide; hydrogen; potassium carbonate; palladium on activated charcoal; nickel; In dimethyl sulfoxide; ethyl acetate;

DOI:10.1016/j.bmcl.2006.02.048

Reference yield:

1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-[4-(aminomethyl)phenyl]piperazine-1-carboxylate (852180-47-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / K₂CO₃ / dimethylsulfoxide / 8 h / 90 °C

2: H₂; LiOH / Raney-Ni; Pd/C / ethyl acetate

With lithium hydroxide; hydrogen; potassium carbonate; palladium on activated charcoal; nickel; In dimethyl sulfoxide; ethyl acetate;

DOI:10.1016/j.bmcl.2006.02.048

upstream raw materials:

tert-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate

4-fluorobenzonitrile

1-t-Butoxycarbonylpiperazine

4-bromobenzenecarbonitrile

Downstream raw materials:

4-(4-{[(5-nitro-furan-2-carbonyl)-amino]-methyl}-phenyl)-piperzine-1-carboxylic acid ter-butyl ester

5-nitro-furan-2-carboxylic acid 4-piperazin-1-yl-benzylamide

C₃₁H₃₅N₅O₅S

1,1-dimethylethyl 4-(4-{[({6-[3-endo-({[2-methyl-3-(methyloxy)phenyl]carbonyl}amino)-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-yl}carbonyl)amino]methyl}phenyl)piperazine-1-carboxylate

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