Bmeda

Base Information

• Chemical Name: Bmeda
• CAS No.: 93798-62-0
• Molecular Formula: C10H24 N2 S2
• Molecular Weight: 236.446
• Hs Code.: 2930909090
• UNII: 1J7PW297VP
• Nikkaji Number: J622.367B
• Mol file: 93798-62-0.mol

Synonyms:BMEDA;93798-62-0;N,N-Bis(2-mercaptoethyl)-N'',N''-diethylethylenediamine;1J7PW297VP;n,n-bis(2-mercaptoethyl)-n',n'-diethylethylenediamine;Ethanethiol, 2,2'-((2-(diethylamino)ethyl)imino)bis-;2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;N,N-Bis(2-mercaptoethyl)-N',N'-diethylenediamine;2,2'-((2-(Diethylamino)ethyl)azanediyl)diethanethiol;UNII-1J7PW297VP;SCHEMBL1654597;2,2'-[2-(Diethylamino)ethyl]iminobis(ethanethiol);2,2'-((2-(DIETHYLAMINO)ETHYL)IMINO)BIS(ETHANETHIOL)

Chemical Property of Bmeda

Chemical Property:

• Boiling Point: 305.7±32.0 °C(Predicted)
• PKA: 9.87±0.10(Predicted)
• PSA: 84.08000
• Density: 1.000±0.06 g/cm3(Predicted)
• LogP: 1.48980
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 236.13809112
• Heavy Atom Count: 14
• Complexity: 113

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCN(CCS)CCS

Technology Process of Bmeda

There total 1 articles about Bmeda 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: 66.0%

thirane (420-12-2) + N,N-diethylethylenediamine (100-36-7) → N,N-bis(2-mercaptoethyl)-N‘,N’-diethylethylenediamine (93798-62-0)

Guidance literature:

In toluene; at 20 - 80 ℃; for 10h;

DOI:10.1021/jm000050e

Reference yield: 75.0%

[(n-Bu)4N][ReOCl3(o-OC6H4P(C6H5)2)] (182134-37-8) + N,N-bis(2-mercaptoethyl)-N‘,N’-diethylethylenediamine (93798-62-0) → ReO[(C2H5)2NCH2CH2N(CH2CH2S)2][o-OC6H4P(C6H5)2] (245068-07-9)

Guidance literature:

In methanol; dichloromethane; addn. of 1 equiv. ligand (in CH2Cl2) to Re-complex (in CH2Cl2/MeOH=1:1) with stirring, refluxing for 30 min; cooling to room temp., Et2O addn. (pptn.), dissoln. in CH2Cl2, chromy. (SiO2, 2%MeOH in CH2Cl2), crystn. (CH2Cl2/MeOH, slow evapn.); elem. anal.;

Reference yield: 70.0%

[ReOCl3(PPh3)2] + N,N-bis(2-mercaptoethyl)-N‘,N’-diethylethylenediamine (93798-62-0) + 4-aminotiophenol (1193-02-8) → (p-aminophenylthiolato-S)[N-[(N',N'-diethyl)-2-aminoethylene]-N,N-bis(ethylene-2-thiolato-S)amino-N]oxorhenium(V) (178476-48-7)

Guidance literature:

In methanol; equimolar amts.; crystn. (CH2Cl2/MeOH), slow evapn.; elem. anal.;

DOI:10.1016/s0020-1693(98)00330-2

upstream raw materials:

thirane

N,N-diethylethylenediamine

Downstream raw materials:

[(4-methyl)thiophenolato][N,N-bis(ethyl-2-thiolato)N,N'-diethyl-ethylenediamine]oxorhenium-186(V)

[(4-methyl)thiophenolato][N,N-bis(ethyl-2-thiolato)N,N'-diethyl-ethylenediamine]oxorhenium(V)

(p-aminophenylthiolato-S)[N-[(N',N'-diethyl)-2-aminoethylene]-N,N-bis(ethylene-2-thiolato-S)amino-N]oxorhenium(V)

ReO[(C₂H₅)2NCH₂CH₂N(CH₂CH₂S)2][o-OC₆H₄P(C₆H₅)2]

Refernces

• 1、 Friebe, Matthias,Mahmood, Ashfaq,Spies, Hartmut,Berger, Ralf,Johannsen, Bernd,Mohammed, Ashour,Eisenhut, Michael,Bolzati, Cristina,Davison, Alan,Jones, Alun G.. "'3+1' Mixed-ligand oxotechnetium(V) complexes with affinity for melanoma: Synthesis and evaluation in vitro and in vivo". . p. 2745 - 2752. Retrieved 2007/10/03.