Methoctramine

Base Information

Chemical Name:Methoctramine
CAS No.:104807-40-1
Molecular Formula:C36H62 N4 O2
Molecular Weight:582.914
Hs Code.:
UNII:NVJ76B897D
DSSTox Substance ID:DTXSID50960286
Nikkaji Number:J257.584A
Wikipedia:Methoctramine
Wikidata:Q18344124
Pharos Ligand ID:3538JFP58F3T
Metabolomics Workbench ID:66372
ChEMBL ID:CHEMBL27673
Mol file:104807-40-1.mol

Synonyms:methoctramine;methoctramine free base;methoctramine hydrochloride;N,N'-bis(6-((2-methoxybenzyl)amino)hexyl)-1,8-octanediamine;N,N'-bis(6-((2-methoxybenzyl)amino)hexyl)-1,8-octanediamine tetrahydrochloride

Suppliers and Price of Methoctramine

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
METHOCTRAMINE 95.00%
5MG
$ 495.99

Total 3 raw suppliers

Chemical Property of Methoctramine

Chemical Property:

PSA：66.58000
LogP:9.58940
Storage Temp.:2-8°C
Solubility.:H2O: ≤5 mg/mL
XLogP3:6.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:29
Exact Mass:582.48727723
Heavy Atom Count:42
Complexity:519

Purity/Quality:

97% ^*data from raw suppliers

METHOCTRAMINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC=C1CNCCCCCCNCCCCCCCCNCCCCCCNCC2=CC=CC=C2OC

Technology Process of Methoctramine

There total 5 articles about Methoctramine 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: 62.0%

: 295806-30-3
C₃₆H₅₄N₄O₆

: 104807-40-1
methoctramine

Guidance literature:: With lithium aluminium tetrahydride; In diethylene glycol dimethyl ether;
DOI:10.1007/BF02464370

Reference yield:

: 373-44-4
1,8-diaminooctan

: 104807-40-1
methoctramine

Guidance literature:: Multi-step reaction with 2 steps

1: 79 percent / EtOCOCl; Et₃N

2: 62 percent / LiAlH₄ / bis-(2-methoxy-ethyl) ether

With lithium aluminium tetrahydride; chloroformic acid ethyl ester; triethylamine; In diethylene glycol dimethyl ether; 1: Acylation / 2: Reduction;
DOI:10.1007/BF02464370

Reference yield:

: 21615-34-9
2-Methoxybenzoyl chloride

: 104807-40-1
methoctramine

Guidance literature:: Multi-step reaction with 3 steps

1: 4 N NaOH / 2 h / 20 °C

2: 79 percent / EtOCOCl; Et₃N

3: 62 percent / LiAlH₄ / bis-(2-methoxy-ethyl) ether

With sodium hydroxide; lithium aluminium tetrahydride; chloroformic acid ethyl ester; triethylamine; In diethylene glycol dimethyl ether; 1: Acylation / 2: Acylation / 3: Reduction;
DOI:10.1007/BF02464370