Methyl 3-[(4-methylpiperazin-1-yl)methyl]benzoate

Base Information

Chemical Name:Methyl 3-[(4-methylpiperazin-1-yl)methyl]benzoate
CAS No.:658689-29-3
Molecular Formula:C₁₄H₂₀N₂O₂
Molecular Weight:248.325
Hs Code.:
DSSTox Substance ID:DTXSID30428758
Wikidata:Q82241579
Mol file:658689-29-3.mol

Synonyms:Methyl 3-[(4-methylpiperazin-1-yl)methyl]benzoate;658689-29-3;Benzoic acid,3-[(4-methyl-1-piperazinyl)methyl]-,methyl ester;SCHEMBL10145077;DTXSID30428758;MFCD08271927;FT-0757301

Suppliers and Price of Methyl 3-[(4-methylpiperazin-1-yl)methyl]benzoate

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

American Custom Chemicals Corporation
METHYL 3-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZOATE 95.00%
1G
$ 773.73

Total 13 raw suppliers

Chemical Property of Methyl 3-[(4-methylpiperazin-1-yl)methyl]benzoate

Chemical Property:

Vapor Pressure:3.76E-05mmHg at 25°C
Boiling Point:352.7°C at 760 mmHg
PKA:7.56±0.10(Predicted)
Flash Point:167.1°C
PSA：32.78000
Density:1.104g/cm³
LogP:1.09640
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:248.152477885
Heavy Atom Count:18
Complexity:275

Purity/Quality:

99%, ^*data from raw suppliers

METHYL 3-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCN(CC1)CC2=CC(=CC=C2)C(=O)OC

Technology Process of Methyl 3-[(4-methylpiperazin-1-yl)methyl]benzoate

There total 2 articles about Methyl 3-[(4-methylpiperazin-1-yl)methyl]benzoate 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: 99.0%

: 109-01-3
1-methyl-piperazine

: 52178-50-4
Methyl 3-formylbenzoate

: 658689-29-3
methyl 3-[(4-methyl piperazine-1-yl)-methyl]benzoate

Guidance literature:: With sodium tris(acetoxy)borohydride; In dichloromethane; at 20 ℃; for 1.5h;
DOI:10.1021/acs.jmedchem.5b00511

Reference yield: 97.0%

: 109-01-3
1-methyl-piperazine

: 1129-28-8
3-methoxycarbonylbenzyl bromide

: 658689-29-3
methyl 3-[(4-methyl piperazine-1-yl)-methyl]benzoate

Guidance literature:: With potassium carbonate; In acetone; at 20 ℃;

Reference yield:

: 658689-29-3
methyl 3-[(4-methyl piperazine-1-yl)-methyl]benzoate

: N-methyl-4-(3-((4-methylpiperazin-1-yl)methyl)benzamido)-1H-pyrazole-3-carboxamide

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydroxide / methanol; water / 2.5 h / 20 °C / Cooling with ice

1.2: 10 h / 20 °C

2.1: sodium hydroxide; water / methanol / 2.5 h / 20 °C

3.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / methanol; N,N-dimethyl-formamide / 20 °C

With water; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium hydroxide; In methanol; water; N,N-dimethyl-formamide;