2-(4-Methyl-1,4-diazepan-1-yl)ethanol

Base Information

• Chemical Name: 2-(4-Methyl-1,4-diazepan-1-yl)ethanol
• CAS No.: 59039-64-4
• Molecular Formula: C8H18N2O
• Molecular Weight: 158.244
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30286375
• Wikidata: Q82022080
• Mol file: 59039-64-4.mol

Synonyms:59039-64-4;2-(4-methyl-1,4-diazepan-1-yl)ethanol;1-(2-Hydroxyethyl)-4-methyl-[1,4]diazepane;2-(4-Methyl-[1,4]diazepan-1-yl)-ethanol;MFCD12186628;SCHEMBL316062;DTXSID30286375;AJZYETCLSRTJOY-UHFFFAOYSA-N;AKOS009561961;2-(4-methylhomopiperazin-1-yl)ethanol;AM101000

Chemical Property of 2-(4-Methyl-1,4-diazepan-1-yl)ethanol

Chemical Property:

• Vapor Pressure: 0.00364mmHg at 25°C
• Boiling Point: 249.6oC at 760 mmHg
• Flash Point: 108.6oC
• PSA: 26.71000
• Density: 0.98g/cm3
• LogP: -0.50800
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 158.141913202
• Heavy Atom Count: 11
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

2-(4-methyl-[1,4]diazepan-1-yl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCN(CC1)CCO

Technology Process of 2-(4-Methyl-1,4-diazepan-1-yl)ethanol

There total 1 articles about 2-(4-Methyl-1,4-diazepan-1-yl)ethanol 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%

1-Methylhomopiperazine (4318-37-0) + 2-bromoethanol (540-51-2) → 2-(4-methylhomopiperazin-1-yl)ethanol (59039-64-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 - 100 ℃;

Reference yield: 3.0%

4-(4-methylphenyl)-piperazine dihydrochloride (159263-04-4) + 2-(4-methylhomopiperazin-1-yl)ethanol (59039-64-4) + 4-Nitrophenyl chloroformate (7693-46-1) → 2-(4-methyl-1,4-diazepan-1-yl)ethyl 4-(4-methylphenyl)piperazine-1-carboxylate (1159929-36-8)

Guidance literature:

2-(4-methylhomopiperazin-1-yl)ethanol; 4-Nitrophenyl chloroformate; With 4-methyl-morpholine; In DCM; at 0 - 20 ℃;

4-(4-methylphenyl)-piperazine dihydrochloride; With N-ethyl-N,N-diisopropylamine; In DCM; N,N-dimethyl-formamide; at 20 ℃; for 3h;

With sodium carbonate; In water; ethyl acetate;

Reference yield:

2-(4-methylhomopiperazin-1-yl)ethanol (59039-64-4) + 6-benzyloxy-1-methanesulfonyl-1H-indole → 6-benzyloxy-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl]-1H-indole

Guidance literature:

With sodium hydride; potassium carbonate; In toluene; at 110 ℃;

DOI:10.1016/S0960-894X(02)00438-9

upstream raw materials:

1-Methylhomopiperazine

2-bromoethanol

Downstream raw materials:

2-(4-methyl-1,4-diazepan-1-yl)ethyl 4-(4-methylphenyl)piperazine-1-carboxylate

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