N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)propionanilide oxalate hydrate (2:4:1)

Base Information

Chemical Name:N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)propionanilide oxalate hydrate (2:4:1)
CAS No.:77562-96-0
Molecular Formula:2C₂H₂O₄*C₁₉H₃₁N₃O
Molecular Weight:497.546
Hs Code.:
DSSTox Substance ID:DTXSID00998771
Mol file:77562-96-0.mol

Synonyms:N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)propionanilide oxalate hydrate (2:4:1);77562-96-0;Propanamide, N-(1-methyl-2-(4-(1-methylethyl)-1-piperazinyl)ethyl)-N-phenyl-, ethanedioate, hydrate (2:4:1);C19H31N3O.2C2H2O4.1/2H2O;C19-H31-N3-O.2C2-H2-O4.1/2H2-O;DTXSID00998771;LS-119326;Oxalic acid--N-phenyl-N-{1-[4-(propan-2-yl)piperazin-1-yl]propan-2-yl}propanamide (2/1)

Suppliers and Price of N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)propionanilide oxalate hydrate (2:4:1)

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)propionanilide oxalate hydrate (2:4:1)

Chemical Property:

Vapor Pressure:1.1E-07mmHg at 25°C
Boiling Point:432.5°C at 760 mmHg
Flash Point:166.4°C
PSA：101.39000
LogP:1.87550
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:497.23732970
Heavy Atom Count:35
Complexity:429

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)C(C)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Technology Process of N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)propionanilide oxalate hydrate (2:4:1)

There total 5 articles about N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)propionanilide oxalate hydrate (2:4:1) 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: 61.9%

: 144-62-7,97993-78-7
oxalic acid

: 77562-95-9
N-<1-methyl-2-(4-isopropylpiperazino)ethyl>propionanilide

: 77562-96-0
N-[2-(4-Isopropyl-piperazin-1-yl)-1-methyl-ethyl]-N-phenyl-propionamide; compound with oxalic acid

Guidance literature:: In diethyl ether;
DOI:10.1248/cpb.28.3315

Reference yield:

: 4318-42-7
1-(1-methylethyl)piperazine

: 77562-96-0
N-[2-(4-Isopropyl-piperazin-1-yl)-1-methyl-ethyl]-N-phenyl-propionamide; compound with oxalic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 15 g / diethyl ether / 2 h / 5 °C

2: 42.8 percent / K₂CO₃ / ethanol / 8 h / Heating

3: 57.6 percent / LiAlH₄ / diethyl ether; tetrahydrofuran / 21 h / Ambient temperature

4: 70.1 percent / 3 h / 100 °C

5: 61.9 percent / diethyl ether

With lithium aluminium tetrahydride; potassium carbonate; In tetrahydrofuran; diethyl ether; ethanol;
DOI:10.1248/cpb.28.3315

Reference yield:

: 77563-18-9
2-Bromo-1-(4-isopropyl-piperazin-1-yl)-propan-1-one

: 77562-96-0
N-[2-(4-Isopropyl-piperazin-1-yl)-1-methyl-ethyl]-N-phenyl-propionamide; compound with oxalic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 42.8 percent / K₂CO₃ / ethanol / 8 h / Heating

2: 57.6 percent / LiAlH₄ / diethyl ether; tetrahydrofuran / 21 h / Ambient temperature

3: 70.1 percent / 3 h / 100 °C

4: 61.9 percent / diethyl ether

With lithium aluminium tetrahydride; potassium carbonate; In tetrahydrofuran; diethyl ether; ethanol;
DOI:10.1248/cpb.28.3315