1-((5-((2-Indolylmethyl)amino)-2-thiadiazolyl)thio)-3-(o-toluidino)-2-propanol

Base Information

Chemical Name:1-((5-((2-Indolylmethyl)amino)-2-thiadiazolyl)thio)-3-(o-toluidino)-2-propanol
CAS No.:86717-07-9
Molecular Formula:C₂₁H₂₃N₅OS₂
Molecular Weight:425.579
Hs Code.:
DSSTox Substance ID:DTXSID501007060
Mol file:86717-07-9.mol

Synonyms:BRN 6012603;86717-07-9;1-((5-((2-Indolylmethyl)amino)-2-thiadiazolyl)thio)-3-(o-toluidino)-2-propanol;2-Propanol, 1-((5-((2-indolylmethyl)amino)-2-thiadiazolyl)thio)-3-(o-toluidino)-;C21H23N5OS2;DTXSID501007060;LS-122384;1-[(5-{[(1H-Indol-3-yl)methyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(2-methylanilino)propan-2-ol

Suppliers and Price of 1-((5-((2-Indolylmethyl)amino)-2-thiadiazolyl)thio)-3-(o-toluidino)-2-propanol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-((5-((2-Indolylmethyl)amino)-2-thiadiazolyl)thio)-3-(o-toluidino)-2-propanol

Chemical Property:

Vapor Pressure:4.18E-22mmHg at 25°C
Boiling Point:725.7°Cat760mmHg
Flash Point:392.7°C
PSA：142.63000
Density:1.38g/cm³
LogP:3.99990
XLogP3:4.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:425.13440272
Heavy Atom Count:29
Complexity:502

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=CC=C1NCC(CSC2=NN=C(S2)NCC3=CNC4=CC=CC=C43)O

Technology Process of 1-((5-((2-Indolylmethyl)amino)-2-thiadiazolyl)thio)-3-(o-toluidino)-2-propanol

There total 3 articles about 1-((5-((2-Indolylmethyl)amino)-2-thiadiazolyl)thio)-3-(o-toluidino)-2-propanol 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: 52.0%

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

: 95-53-4
o-toluidine

: 86717-07-9
1-{5-[(1H-Indol-3-ylmethyl)-amino]-[1,3,4]thiadiazol-2-ylsulfanyl}-3-o-tolylamino-propan-2-ol

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

Reference yield:

: 120-72-9
indole

: 86717-07-9
1-{5-[(1H-Indol-3-ylmethyl)-amino]-[1,3,4]thiadiazol-2-ylsulfanyl}-3-o-tolylamino-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: 52 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

: 86717-07-9
1-{5-[(1H-Indol-3-ylmethyl)-amino]-[1,3,4]thiadiazol-2-ylsulfanyl}-3-o-tolylamino-propan-2-ol

Guidance literature:: Multi-step reaction with 2 steps

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

2: 52 percent / 10percent aq. NaOH / methanol / Heating

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