1-(1-Phenylcyclopropyl)piperazine

Base Information

• Chemical Name: 1-(1-Phenylcyclopropyl)piperazine
• CAS No.: 1245647-91-9
• Molecular Formula: C13H18N2
• Molecular Weight: 202.299
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID70693589
• Wikidata: Q82622601
• Mol file: 1245647-91-9.mol

Synonyms:1-(1-PHENYLCYCLOPROPYL)PIPERAZINE;1245647-91-9;1-(1-PHENYL-CYCLOPROPYL)-PIPERAZINE;SCHEMBL10261142;DTXSID70693589;WIFPWYFVWPLROU-UHFFFAOYSA-N;MFCD14706744;AKOS015999728;Piperazine, 1-(1-phenylcyclopropyl)-;GS-5582;SB32157;CS-0060501;F13135;EN300-1869279;A890467

Chemical Property of 1-(1-Phenylcyclopropyl)piperazine

Chemical Property:

• Boiling Point: 310.1±22.0 °C(Predicted)
• PKA: 9.23±0.10(Predicted)
• PSA: 15.27000
• Density: 1.105±0.06 g/cm3(Predicted)
• LogP: 1.84760
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.146998583
• Heavy Atom Count: 15
• Complexity: 211

Purity/Quality:

98%min ^*data from raw suppliers

1-(1-Phenylcyclopropyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C2=CC=CC=C2)N3CCNCC3

Technology Process of 1-(1-Phenylcyclopropyl)piperazine

There total 5 articles about 1-(1-Phenylcyclopropyl)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:

C20H24N2O2S (1384448-13-8) → C13H18N2 (1245647-91-9)

Guidance literature:

C₂₀H₂₄N₂O₂S; With hydrogen bromide; acetic acid; 4-hydroxy-benzoic acid; at 20 ℃; for 48h; Inert atmosphere;

With water; for 2h;

Reference yield:

1-phenyl-1-cyclopropane carboxylic acid (6120-95-2) → C13H18N2 (1245647-91-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: triethylamine; diphenylphosphoranyl azide / toluene / 2 h / 90 °C

1.2: 2 h / Reflux

2.1: N-ethyl-N,N-diisopropylamine / 20 h / 125 °C / Inert atmosphere

3.1: 4-hydroxy-benzoic acid; hydrogen bromide; acetic acid / 48 h / 20 °C / Inert atmosphere

3.2: 2 h

With diphenylphosphoranyl azide; hydrogen bromide; acetic acid; triethylamine; N-ethyl-N,N-diisopropylamine; 4-hydroxy-benzoic acid; In toluene;

Reference yield:

phenylacetonitrile (140-29-4) → C13H18N2 (1245647-91-9)

Guidance literature:

Multi-step reaction with 5 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 0.25 h / 0 °C

1.2: 4 h / 120 °C

2.1: hydrogenchloride; water / 24 h / 100 °C

3.1: triethylamine; diphenylphosphoranyl azide / toluene / 2 h / 90 °C

3.2: 2 h / Reflux

4.1: N-ethyl-N,N-diisopropylamine / 20 h / 125 °C / Inert atmosphere

5.1: 4-hydroxy-benzoic acid; hydrogen bromide; acetic acid / 48 h / 20 °C / Inert atmosphere

5.2: 2 h

With hydrogenchloride; diphenylphosphoranyl azide; water; hydrogen bromide; sodium hydride; acetic acid; triethylamine; N-ethyl-N,N-diisopropylamine; 4-hydroxy-benzoic acid; In N,N-dimethyl-formamide; toluene;

upstream raw materials:

phenylacetonitrile

1-cyano-1-phenylcyclopropane

1-phenyl-1-cyclopropane carboxylic acid

1-phenylcyclopropylamine

Downstream raw materials:

N-(4-(4-(1-phenylcyclopropyl)piperazine-1-carbonyl)phenyl)quinoline-8-sulfonamide

Refernces

• 1、 -. "THERAPEUTIC COMPOUNDS AND COMPOSITIONS". . . Retrieved 2012/07/14.