S-[2-[2-[(2-benzoylsulfanylacetyl)amino]ethylamino]-2-oxoethyl] benzenecarbothioate

Base Information

• Chemical Name: S-[2-[2-[(2-benzoylsulfanylacetyl)amino]ethylamino]-2-oxoethyl] benzenecarbothioate
• CAS No.: 75948-92-4
• Molecular Formula: C20H20 N2 O4 S2
• Molecular Weight: 416.522
• DSSTox Substance ID: DTXSID50997310
• Wikidata: Q82989385
• Mol file: 75948-92-4.mol

Synonyms:BBMAEDA;N,N'-bis(S-benzoylmercaptoacetamido)ethylenediamine

Chemical Property of S-[2-[2-[(2-benzoylsulfanylacetyl)amino]ethylamino]-2-oxoethyl] benzenecarbothioate

Chemical Property:

• PSA: 142.94000
• LogP: 3.14780
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 416.08644947
• Heavy Atom Count: 28
• Complexity: 496

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)SCC(=O)NCCNC(=O)CSC(=O)C2=CC=CC=C2

Technology Process of S-[2-[2-[(2-benzoylsulfanylacetyl)amino]ethylamino]-2-oxoethyl] benzenecarbothioate

There total 2 articles about S-[2-[2-[(2-benzoylsulfanylacetyl)amino]ethylamino]-2-oxoethyl] benzenecarbothioate 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:

S-benzoylthioglycolic acid (6398-74-9) + ethylenediamine (107-15-3,85404-18-8) → N,N'-bis((S-benzylthio)acetamido)ethanediamine-1,2 (75948-92-4)

Guidance literature:

With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; In tetrahydrofuran; Heating;

DOI:10.1021/jm00080a011

Reference yield:

thiobenzoic acid potassium salt (28170-13-0) + N,N'-bis(chloroacetyl)ethylenediamine (2620-09-9) → N,N'-bis((S-benzylthio)acetamido)ethanediamine-1,2 (75948-92-4)

Guidance literature:

In ethanol; for 3h; Heating;

DOI:10.1021/jm00160a023

Reference yield: 99.0%

ammonium pertechnetate (34035-97-7) + tetraphenylarsonium chloride monohydrate (104170-16-3) + N,N'-bis((S-benzylthio)acetamido)ethanediamine-1,2 (75948-92-4) → tetraphenylarsonium oxo(N,N'-ethylenebis(2-mercaptoacetimido))technetate (75949-45-0)

Guidance literature:

With sodium hydroxide; sodium dithionite; In ethanol; water; suspn. ebma in mixt. water and ethanol heated to 70°C, pH adjusted to 13 with NaOH, NH4TcO4 soln. added, sodium dithionite in water added dropwise and stirred, soln. cooled and soln. Ph4AsCl added; after standing for 12 h, solid separated and recrystd. from acetone/water by slow evapn.; elem. anal.;

DOI:10.1021/ic50220a001

upstream raw materials:

thiobenzoic acid potassium salt

N,N'-bis(chloroacetyl)ethylenediamine

S-benzoylthioglycolic acid

ethylenediamine

Downstream raw materials:

tetraphenylarsonium oxo(N,N'-ethylenebis(2-mercaptoacetimido))technetate

Refernces

• 1、 Kasina, Sudhakar,Fritzberg, Alan R.,Johnson, Dennis L.,Eshima, Dennis. "Tissue Distribution Properties of Technetium-99m-Diamide-Dimercaptide Complexes and Potential Use as Renal Radiopharmaceuticals". . p. 1933 - 1940. Retrieved 2007/10/02.