{1,4-Diazabicyclo[2.2.2]octan-2-yl}methanol

Base Information

• Chemical Name: {1,4-Diazabicyclo[2.2.2]octan-2-yl}methanol
• CAS No.: 76950-43-1
• Molecular Formula: C₇H₁₄N₂O
• Molecular Weight: 142.201
• European Community (EC) Number: 692-731-2
• DSSTox Substance ID: DTXSID101020240
• Nikkaji Number: J3.178.150G
• Mol file: 76950-43-1.mol

Synonyms:76950-43-1;{1,4-diazabicyclo[2.2.2]octan-2-yl}methanol;(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol;1,4-diazabicyclo[2.2.2]octan-2-ylmethanol;1,4-Diazabicyclo[2.2.2]octane-2-methanol;2-hydroxymethyl-1,4-diazabicyclo[2.2.2]octane;SCHEMBL764558;SCHEMBL15355168;SCHEMBL18535342;DTXSID101020240;MFCD28647696;AKOS023832393;PS-20302;D5950;EC 692-731-2;EN300-704172;P19562;(1,4-Diazabicyclo(2.2.2)octane-2-yl)methanol;2-(Hydroxymethyl)-1,4-diazabicyclo[2.2.2]octane;{1,4-DIAZABICYCLO[2.2.2]OCTAN-2-YLMETHANOL;F2147-2316

Chemical Property of {1,4-Diazabicyclo[2.2.2]octan-2-yl}methanol

Chemical Property:

• Boiling Point: 280℃ at 101.5kPa
• Density: 1.21 at 20℃
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 142.110613074
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

99.9% ^*data from raw suppliers

1,4-Diazabicyclo[2.2.2]octane-2-methanol 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2CCN1CC2CO

Technology Process of {1,4-Diazabicyclo[2.2.2]octan-2-yl}methanol

There total 20 articles about {1,4-Diazabicyclo[2.2.2]octan-2-yl}methanol 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: 98.0%

piperazine (110-85-0) + 2,3-Dibromopropan-1-ol (96-13-9) → 2-hydroxymethyl-1,4-diazabicyclo<2.2.2>octane (76950-43-1)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In water; at 90 - 95 ℃; for 8h;

Reference yield: 98.0%

piperazine (110-85-0) + 2,3-Dichloro-1-propanol (616-23-9) → 2-hydroxymethyl-1,4-diazabicyclo<2.2.2>octane (76950-43-1)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In water; at 90 - 95 ℃; for 8h;

Reference yield: 68.0%

1-(2,3-dihydroxy propyl)piperazine (7483-59-2,904896-44-2) → 2-hydroxymethyl-1,4-diazabicyclo<2.2.2>octane (76950-43-1)

Guidance literature:

With dicesium hydrogen phosphate; strontium hydrogenphosphate; In water; at 390 ℃; Reagent/catalyst; Temperature;

upstream raw materials:

C₇H₁₈N₄O⁽²⁺⁾*2Br^(1-)

1,4-diazabicyclo<2.2.2>octene-2-carboxylic acid dihydrobromide

2-benzyloxymethyl-1,4-diazabicyclo<2.2.2>octane dihydrochloride

methyl 1,4-diazabicyclo<2.2.2>octane-2-carboxylate

Downstream raw materials:

2-acetoxymethyl-1,4-diazabicyclo<2.2.2>octane