4-[4-(Pyrimidin-2-yl)piperazin-1-yl]butan-1-amine

Base Information

• Chemical Name: 4-[4-(Pyrimidin-2-yl)piperazin-1-yl]butan-1-amine
• CAS No.: 33386-20-8
• Molecular Formula: C12H21 N5
• Molecular Weight: 235.332
• Hs Code.: 2933990090
• European Community (EC) Number: 608-867-2
• DSSTox Substance ID: DTXSID10511192
• Wikidata: Q82369873
• Mol file: 33386-20-8.mol

Synonyms:33386-20-8;4-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-amine;4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine;4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butan-1-amine;1-(2-PYRIMIDINYL)-4-(4-AMINOBUTYL)PIPERAZINE;4-(AMINOBUTYL)-1-(2-PYRIMIDINYL)-PIPERAZINE;SCHEMBL4447104;DTXSID10511192;YDQAUSHJSHIVAD-UHFFFAOYSA-N;MFCD00209912;AKOS000156274;MB00926;CS-0217160;FT-0738753;1-(4-Aminobutyl)-4-(2-pyrimidyl)piperazine;2-[4(4-aminobutyl)-1-piperazinyl]pyrimidine;EN300-69631;1-(4-aminobutyl)-4-(2-pyrimidinyl)piperazine;F14702;1-(4-aminobutyl)-4-(2-pyrimidinyl) piperazine;1-(4-aminobutyl)-4-(2-pyrimidinyl)-piperazine;A913334;Z285207400

Chemical Property of 4-[4-(Pyrimidin-2-yl)piperazin-1-yl]butan-1-amine

Chemical Property:

• Vapor Pressure: 9.47E-07mmHg at 25°C
• Refractive Index: 1.553
• Boiling Point: 404.4°C at 760 mmHg
• PKA: 10.56±0.10(Predicted)
• Flash Point: 198.4°C
• PSA: 58.28000
• Density: 1.102g/cm³
• LogP: 1.04070
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 235.17969569
• Heavy Atom Count: 17
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butan-1-amine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCCCN)C2=NC=CC=N2

Technology Process of 4-[4-(Pyrimidin-2-yl)piperazin-1-yl]butan-1-amine

There total 8 articles about 4-[4-(Pyrimidin-2-yl)piperazin-1-yl]butan-1-amine 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: 99.0%

8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane Bromide (81461-73-6) → 1-(pyrimidin-2-yl)-4-(4-aminobutyl)piperazine (33386-20-8)

Guidance literature:

8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane Bromide; With caesium carbonate; In 5,5-dimethyl-1,3-cyclohexadiene; at 130 ℃; for 1h;

With iminodicarboxylic acid di-tert-butyl ester; In 5,5-dimethyl-1,3-cyclohexadiene; Heating;

Reference yield:

4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyronitrile (33386-14-0) → 1-(pyrimidin-2-yl)-4-(4-aminobutyl)piperazine (33386-20-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at -10 ℃; Yield given;

DOI:10.1248/cpb.39.2288

Reference yield:

N-(2-pyridinyl)piperazine (20980-22-7) + N-(2-Bromobutyl)phthalimide (184947-05-5) → 1-(pyrimidin-2-yl)-4-(4-aminobutyl)piperazine (33386-20-8)

Guidance literature:

With potassium carbonate; In hydrazine hydrate; N,N-dimethyl-formamide;

upstream raw materials:

4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyronitrile

N-(2-pyridinyl)piperazine

2-(4-bromobutyl)isoindoline-1,3-dione

1-(2-pyrimidyl)piperazine dihydrochloride

Downstream raw materials:

1-(4-Anthraniloylaminobutyl)-4-(2-pyrimidinyl)piperazine

(1S,5R)-3-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-3-aza-bicyclo[3.2.0]heptane-2,4-dione

BUSPIRONE

2-<4-<4-(2-pyrimidinyl)-1-piperazinyl>butyl>hexahydro-4,7-etheno-1H-cyclobutisoindole-1,3(2H)-dione