3-Phenyl-1,2,4-triazine

Base Information

• Chemical Name: 3-Phenyl-1,2,4-triazine
• CAS No.: 24108-40-5
• Molecular Formula: C9H7N3
• Molecular Weight: 157.175
• Mol file: 24108-40-5.mol

Synonyms:3-PHENYL-1,2,4-TRIAZINE

Chemical Property of 3-Phenyl-1,2,4-triazine

Chemical Property:

• Melting Point: 52-53 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7))
• Boiling Point: 329.5 °C at 760 mmHg
• PKA: 0.94±0.63(Predicted)
• Flash Point: 156.1 °C
• PSA: 38.67000
• Density: 1.169 g/cm³
• LogP: 1.53860

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Phenyl-1,2,4-triazine

There total 5 articles about 3-Phenyl-1,2,4-triazine 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: 92.0%

tributylphenylstannane (960-16-7) + 3-methylthio-1,2,4-triazine (28735-21-9) → 3-phenyl-1,2,4-triazine (24108-40-5)

Guidance literature:

With copper(I) bromide dimethylsulfide complex; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; for 48h; Heating;

DOI:10.1021/ol027453o

Reference yield: 82.0%

3-methylthio-1,2,4-triazine (28735-21-9) + phenylboronic acid (98-80-6) → 3-phenyl-1,2,4-triazine (24108-40-5)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; copper(I) 2-hydroxy-3-methylbenzoate; In tetrahydrofuran; for 12h; Inert atmosphere; Reflux;

DOI:10.1007/s10593-019-02564-9

Reference yield: 30.0%

phenylzinc(II) bromide (38111-44-3) + 3-methylthio-1,2,4-triazine (28735-21-9) → 3-phenyl-1,2,4-triazine (24108-40-5)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1055/s-2004-834868

upstream raw materials:

tributylphenylstannane

3-methylthio-1,2,4-triazine

phenylzinc(II) bromide

phenylboronic acid

Downstream raw materials:

1-(3-Phenyl-[1,2,4]triazin-5-yl)-propan-1-one oxime

1-Phenyl-6,7-dihydro-5H-[2]pyrindine 2-oxide

Acetic acid 1-phenyl-6,7-dihydro-5H-[2]pyrindin-5-yl ester

1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine

Refernces

• 1、 Kamber, David N.,Liang, Yong,Blizzard, Robert J.,Liu, Fang,Mehl, Ryan A.,Houk,Prescher, Jennifer A.. "1,2,4-Triazines Are Versatile Bioorthogonal Reagents". supporting information. p. 8388 - 8391. Retrieved 2015/07/15.
• 2、 Alphonse, France-Aimee,Suzenet, Franck,Keromnes, Anne,Lebret, Bruno,Guillaumet, Gerald. "Copper(I)-promoted palladium-catalyzed cross-coupling of unsaturated tri-n-butylstannane with heteroaromatic thioether". . p. 803 - 805. Retrieved 2007/10/03.