(1,3,4)Thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(1H)-one, 6-(2-(3-methylphenyl)ethyl)-

Base Information

Chemical Name:(1,3,4)Thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(1H)-one, 6-(2-(3-methylphenyl)ethyl)-
CAS No.:101302-79-8
Molecular Formula:C₁₄H₁₂N₆OS
Molecular Weight:312.355
Hs Code.:
DSSTox Substance ID:DTXSID30143833
Nikkaji Number:J455.389F
Wikidata:Q83007839
Mol file:101302-79-8.mol

Synonyms:BRN 5452389;(1,3,4)Thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(1H)-one, 6-(2-(3-methylphenyl)ethyl)-;101302-79-8;DTXSID30143833;LS-150405;6-(3-Methylphenethyl)[1,3,4]thiadiazolo[3,2-a]-1,2,3-triazolo[4,5-d]pyrimidin-9(3H)-one

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Supply Marketing:

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

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Chemical Property of (1,3,4)Thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(1H)-one, 6-(2-(3-methylphenyl)ethyl)-

Chemical Property:

Vapor Pressure:2.79E-13mmHg at 25°C
Boiling Point:576.3°Cat760mmHg
Flash Point:302.3°C
Density:1.65g/cm³
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:312.07933020
Heavy Atom Count:22
Complexity:535

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC=C1)CCC2=NN3C(=O)C4=NNN=C4N=C3S2

Technology Process of (1,3,4)Thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(1H)-one, 6-(2-(3-methylphenyl)ethyl)-

There total 7 articles about (1,3,4)Thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(1H)-one, 6-(2-(3-methylphenyl)ethyl)- 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:

: 6,7-Diamino-2-(2-m-tolyl-ethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

: 101302-79-8
6-(2-m-Tolyl-ethyl)-3H-[1,3,4]thiadiazolo[3,2-a][1,2,3]triazolo[4,5-d]pyrimidin-9-one

Guidance literature:: With hydrogenchloride; sodium nitrite; In water; for 1h; Yield given;
DOI:10.1248/cpb.40.357

Reference yield:

: 25468-88-6
2-(m-Tolyl)propionsaeurenitril

: 101302-79-8
6-(2-m-Tolyl-ethyl)-3H-[1,3,4]thiadiazolo[3,2-a][1,2,3]triazolo[4,5-d]pyrimidin-9-one

Guidance literature:: Multi-step reaction with 7 steps

1: 69.8 percent / TFA / 6 h / 60 - 80 °C

2: 87.5 percent / Dowtherm A / 1 h / 120 - 130 °C

3: 95.9 percent / conc. HNO₃ / acetic acid / 2 h / Ambient temperature

4: 1.) POCl₃, 2.) PhNEt₂ / 1.) 70 - 90 deg C, 2.) 70 - 90 deg C, 3 h

5: 75.7 percent / conc. aq. NH₄OH / dioxane / 0.25 h / 60 °C

6: tin, conc. aq. HCl / dioxane / Heating

7: conc. HCl, NaNO₂ / H₂O / 1 h

With hydrogenchloride; ammonium hydroxide; tin; diphenyl ether-biphenyl eutectic; nitric acid; trifluoroacetic acid; N,N-diethylaniline; sodium nitrite; trichlorophosphate; In 1,4-dioxane; water; acetic acid;
DOI:10.1248/cpb.40.357

Reference yield:

: 100988-14-5
5-(2-m-Tolyl-ethyl)-[1,3,4]thiadiazol-2-ylamine

: 101302-79-8
6-(2-m-Tolyl-ethyl)-3H-[1,3,4]thiadiazolo[3,2-a][1,2,3]triazolo[4,5-d]pyrimidin-9-one

Guidance literature:: Multi-step reaction with 6 steps

1: 87.5 percent / Dowtherm A / 1 h / 120 - 130 °C

2: 95.9 percent / conc. HNO₃ / acetic acid / 2 h / Ambient temperature

3: 1.) POCl₃, 2.) PhNEt₂ / 1.) 70 - 90 deg C, 2.) 70 - 90 deg C, 3 h

4: 75.7 percent / conc. aq. NH₄OH / dioxane / 0.25 h / 60 °C

5: tin, conc. aq. HCl / dioxane / Heating

6: conc. HCl, NaNO₂ / H₂O / 1 h

With hydrogenchloride; ammonium hydroxide; tin; diphenyl ether-biphenyl eutectic; nitric acid; N,N-diethylaniline; sodium nitrite; trichlorophosphate; In 1,4-dioxane; water; acetic acid;
DOI:10.1248/cpb.40.357