1-[(4-Bromophenyl)amino]-3-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-YL]sulfanyl]propan-2-OL

Base Information

Chemical Name:1-[(4-Bromophenyl)amino]-3-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-YL]sulfanyl]propan-2-OL
CAS No.:86717-06-8
Molecular Formula:C₂₀H₂₀BrN₅OS₂
Molecular Weight:490.448
Hs Code.:
DSSTox Substance ID:DTXSID201007059
Mol file:86717-06-8.mol

Synonyms:86717-06-8;BRN 6013542;2-Propanol, 1-((4-bromophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-ylthio)-;1-[(4-BROMOPHENYL)AMINO]-3-[[5-(1H-INDOL-3-YLMETHYLAMINO)-1,3,4-THIADIAZOL-2-YL]SULFANYL]PROPAN-2-OL;C20H20BrN5OS2;DTXSID201007059;C20-H20-Br-N5-O-S2;LS-121788;1-(4-Bromoanilino)-3-[(5-{[(1H-indol-3-yl)methyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol

Suppliers and Price of 1-[(4-Bromophenyl)amino]-3-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-YL]sulfanyl]propan-2-OL

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

Total 3 raw suppliers

Chemical Property of 1-[(4-Bromophenyl)amino]-3-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-YL]sulfanyl]propan-2-OL

Chemical Property:

Vapor Pressure:1.06E-23mmHg at 25°C
Boiling Point:751.1°C at 760 mmHg
Flash Point:408°C
PSA：142.63000
Density:1.61g/cm³
LogP:4.45400
XLogP3:4.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:489.02927
Heavy Atom Count:29
Complexity:500

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=CN2)CNC3=NN=C(S3)SCC(CNC4=CC=C(C=C4)Br)O

Technology Process of 1-[(4-Bromophenyl)amino]-3-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-YL]sulfanyl]propan-2-OL

There total 3 articles about 1-[(4-Bromophenyl)amino]-3-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-YL]sulfanyl]propan-2-OL 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: 42.0%

: 86717-02-4
3-<(2-Aminomethyl)-5-(3-epoxypropylmercapto)-1,3,4-thiadiazolyl>indole

: 106-40-1
4-bromo-aniline

: 86717-06-8
1-(4-Bromo-phenylamino)-3-{5-[(1H-indol-3-ylmethyl)-amino]-[1,3,4]thiadiazol-2-ylsulfanyl}-propan-2-ol

Guidance literature:: With sodium hydroxide; In methanol; Heating;
DOI:10.1002/ardp.19833160604

Reference yield:

: 120-72-9
indole

: 86717-06-8
1-(4-Bromo-phenylamino)-3-{5-[(1H-indol-3-ylmethyl)-amino]-[1,3,4]thiadiazol-2-ylsulfanyl}-propan-2-ol

Guidance literature:: Multi-step reaction with 3 steps

1: 85 percent / conc. HCl / methanol / 2 h / Heating

2: 54 percent / 1.) 10percent aq. NaOH / ethanol / 2.) reflux, 3 h

3: 42 percent / 10percent aq. NaOH / methanol / Heating

With hydrogenchloride; sodium hydroxide; In methanol; ethanol;
DOI:10.1002/ardp.19833160604

Reference yield:

: 86717-01-3
3-<(2-Aminomethyl)-5-mercapto-1,3,4-thiadiazolyl>indole

: 86717-06-8
1-(4-Bromo-phenylamino)-3-{5-[(1H-indol-3-ylmethyl)-amino]-[1,3,4]thiadiazol-2-ylsulfanyl}-propan-2-ol

Guidance literature:: Multi-step reaction with 2 steps

1: 54 percent / 1.) 10percent aq. NaOH / ethanol / 2.) reflux, 3 h

2: 42 percent / 10percent aq. NaOH / methanol / Heating

With sodium hydroxide; In methanol; ethanol;
DOI:10.1002/ardp.19833160604