Benextramine

Base Information

Chemical Name:Benextramine
CAS No.:69790-18-7
Molecular Formula:C32H54 N4 O2 S2
Molecular Weight:590.938
Hs Code.:
European Community (EC) Number:271-296-9
UNII:2UGY4ETX3L
DSSTox Substance ID:DTXSID80220082
Nikkaji Number:J345J
Wikidata:Q83097171
ChEMBL ID:CHEMBL19060
Mol file:69790-18-7.mol

Synonyms:benextramine;benextramine tetrahydrochloride;N,N''-(dithiodi-2,1-ethanediyl)bis(N'-(2-methoxyphenylmethyl)-1,6-hexanediamine) tetrahydrochloride;N,N'-bis(o-methoxybenzylaminohexyl)cystamine;N,N'-bis-(O-methoxybenzylaminohexyl)-cystamine;N,N'-BMBAC

Suppliers and Price of Benextramine

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
BENEXTRAMINE 95.00%
5MG
$ 498.51

Total 4 raw suppliers

Chemical Property of Benextramine

Chemical Property:

Boiling Point:695.8oC at 760 mmHg
Flash Point:374.6oC
PSA：117.18000
Density:1.058g/cm3
LogP:7.82820
XLogP3:5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:27
Exact Mass:590.36881933
Heavy Atom Count:40
Complexity:503

Purity/Quality:

99% ^*data from raw suppliers

BENEXTRAMINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC=C1CNCCCCCCNCCSSCCNCCCCCCNCC2=CC=CC=C2OC

Technology Process of Benextramine

There total 10 articles about Benextramine 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: 69.0%

: 142947-58-8
N,N'-bis<6-(2-methoxybenzamido)hexanoyl>cystamine

: 69790-18-7
benextramine

Guidance literature:: With diborane; In tetrahydrofuran; for 18h; Heating;
DOI:10.1021/jm00054a012

Reference yield:

: 6404-29-1
6-(tert-butoxycarbonylamino)hexanoic acid

: 69790-18-7
benextramine

Guidance literature:: Multi-step reaction with 5 steps

1: 69 percent / dicyclohexylcarbodimide (DCC) / CH₂Cl₂ / 12 h / 0 °C

2: 66 percent / diisopropylethylamine (DIEA) / CH₂Cl₂ / 6 h

3: 53 percent / 4 N HCl / dioxane; diethyl ether / 0.83 h

4: 66 percent / diisopropylethylamine (DIEA) / CH₂Cl₂ / 16 h

5: 69 percent / diborane / tetrahydrofuran / 18 h / Heating

With hydrogenchloride; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; diborane; In tetrahydrofuran; 1,4-dioxane; diethyl ether; dichloromethane;
DOI:10.1021/jm00054a012

Reference yield:

: 51513-80-5
N-Boc-6-aminohexanoic acid N-hydroxysuccinimide ester

: 69790-18-7
benextramine

Guidance literature:: Multi-step reaction with 4 steps

1: 66 percent / diisopropylethylamine (DIEA) / CH₂Cl₂ / 6 h

2: 53 percent / 4 N HCl / dioxane; diethyl ether / 0.83 h

3: 66 percent / diisopropylethylamine (DIEA) / CH₂Cl₂ / 16 h

4: 69 percent / diborane / tetrahydrofuran / 18 h / Heating

With hydrogenchloride; N-ethyl-N,N-diisopropylamine; diborane; In tetrahydrofuran; 1,4-dioxane; diethyl ether; dichloromethane;
DOI:10.1021/jm00054a012