1-(Benzo[d][1,3]dioxol-4-yl)piperazine hydrochloride

Base Information

• Chemical Name: 1-(Benzo[d][1,3]dioxol-4-yl)piperazine hydrochloride
• CAS No.: 105684-23-9
• Molecular Formula: C11H14N2O2.ClH
• Molecular Weight: 242.70200
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10705377
• Mol file: 105684-23-9.mol

Synonyms:1-(Benzo[d][1,3]dioxol-4-yl)piperazine hydrochloride;105684-23-9;1-(1,3-benzodioxol-4-yl)piperazine;hydrochloride;1-(1,3-benzodioxol-4-yl)Piperazine hydrochloride;SCHEMBL12478620;DTXSID10705377;DIOSZRNBRKMZEJ-UHFFFAOYSA-N;FT-0717976;A895964;1-(2H-1,3-BENZODIOXOL-4-YL)PIPERAZINE HYDROCHLORIDE;1-(2H-1,3-Benzodioxol-4-yl)piperazine--hydrogen chloride (1/1)

Chemical Property of 1-(Benzo[d][1,3]dioxol-4-yl)piperazine hydrochloride

Chemical Property:

• PSA: 33.73000
• LogP: 2.02070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 242.0822054
• Heavy Atom Count: 16
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

1-(Benzo[d][1,3]dioxol-4-yl)piperazinehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=C3C(=CC=C2)OCO3.Cl

Technology Process of 1-(Benzo[d][1,3]dioxol-4-yl)piperazine hydrochloride

There total 2 articles about 1-(Benzo[d][1,3]dioxol-4-yl)piperazine hydrochloride 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-(benzo[d][1,3]dioxol-4-yl)piperazine-1-carboxylate (1394036-78-2) → 1-(benzo[d][1,3]dioxol-4-yl)piperazine hydrochloride (105684-23-9)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; dichloromethane; at 20 ℃; for 4h;

Reference yield:

4-bromo-benzo[1,3]dioxole (6698-13-1) → 1-(benzo[d][1,3]dioxol-4-yl)piperazine hydrochloride (105684-23-9)

Guidance literature:

Multi-step reaction with 2 steps

1: caesium carbonate / palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl / toluene / 100 °C / Inert atmosphere

2: hydrogenchloride / dichloromethane; 1,4-dioxane / 4 h / 20 °C

With hydrogenchloride; caesium carbonate; palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,4-dioxane; dichloromethane; toluene;

Reference yield: 91.0%

1,1-dimethylethyl[trans-4-(2-oxoethyl)cyclohexyl]carbamate (215790-29-7) + 1-(benzo[d][1,3]dioxol-4-yl)piperazine hydrochloride (105684-23-9) → trans-{4-[2-(4-benzo[1,3]dioxol-4-yl-piperazin-1-yl)ethyl]cyclohexyl}carbamic acid tert-butyl ester (1417564-98-7)

Guidance literature:

1,1-dimethylethyl[trans-4-(2-oxoethyl)cyclohexyl]carbamate; 1-(benzo[d][1,3]dioxol-4-yl)piperazine hydrochloride; With triethylamine; In methanol; dichloromethane; at 20 ℃; for 2h;

With methanol; sodium tris(acetoxy)borohydride; In dichloromethane; at 20 ℃; for 16h;

upstream raw materials:

4-bromo-benzo[1,3]dioxole

tert-butyl 4-(benzo[d][1,3]dioxol-4-yl)piperazine-1-carboxylate

Downstream raw materials:

trans-{4-[2-(4-benzo[1,3]dioxol-4-yl-piperazin-1-yl)ethyl]cyclohexyl}carbamic acid tert-butyl ester

Refernces

• 1、 -. "NOVEL BENZODIOXOLE PIPERAZINE COMPOUNDS". . . Retrieved 2012/09/10.