2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE

Base Information

• Chemical Name: 2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE
• CAS No.: 6095-82-5
• Molecular Formula: C10H11NS
• Molecular Weight: 177.27
• Hs Code.: 29420000
• Mol file: 6095-82-5.mol

Synonyms:Isothiocyanicacid, mesityl ester (7CI,8CI);2,4,6-Trimethylphenyl isothiocyanate;2-Isothiocyanato-1,3,5-trimethylbenzene;Mesityl isothiocyanate;

Chemical Property of 2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE

Chemical Property:

• Appearance/Colour: Yellow Solid
• Vapor Pressure: 0.00459mmHg at 25°C
• Melting Point: 63-64°C
• Refractive Index: 1.549
• Boiling Point: 286.3 °C at 760 mmHg
• Flash Point: 130.1 °C
• PSA: 44.45000
• Density: 1 g/cm³
• LogP: 3.34610
• Sensitive.: Moisture Sensitive
• Solubility.: soluble in Toluene

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: T
• Statements: 20/21/22-36/37/38-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE

There total 40 articles about 2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE 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: 100.0%

2,4,6-trimethylbenzohydroximoyl chloride (2904-63-4) → 2,4,6-trimethylphenyl isothiocyanate (6095-82-5)

Guidance literature:

With triethylamine; thiourea; In tetrahydrofuran; Ambient temperature;

DOI:10.1016/S0040-4039(00)61411-9

Reference yield: 99.0%

(2,4,6-trimethyl-phenyl)-dithiocarbamic acid; compound with triethyl-amine → 2,4,6-trimethylphenyl isothiocyanate (6095-82-5)

Guidance literature:

With sodium persulfate; potassium carbonate; In water; at 20 ℃; for 1h; chemoselective reaction; Green chemistry;

DOI:10.1039/c8gc02261e

Reference yield: 98.0%

silver(I) trifluoromethanethiolate (811-68-7) + 2,4,6-trimethylaniline (88-05-1) → 2,4,6-trimethylphenyl isothiocyanate (6095-82-5)

Guidance literature:

With potassium bromide; In acetonitrile; at 20 ℃; for 1h;

DOI:10.1021/acs.orglett.9b00383

upstream raw materials:

thiophosgene

2,4,6-trimethylaniline

N-(2,4,6-Trimethylphenyl)-N'-methyl-thioharnstoff

bis(diethylamino)dimethylsilane

Downstream raw materials:

mesityl-thiocarbamic acid O-ethyl ester

N,N'-bis(2,4,6-trimethylphenyl)thiourea

C₂₄H₂₈N₆O₃S

Refernces

• 1、 Rong, Hao-Jie,Chen, Tao,Xu, Ze-Gang,Su, Tian-Duo,Shang, Yu,Wang, Yong-Qiang,Yang, Cui-Feng. "4-Dimethylaminopyridine-catalyzed synthesis of isothiocyanates from amines and carbon disulfide". . . Retrieved 2021/03/03.
• 2、 Zhen, Long,Fan, Hui,Wang, Xiaoji,Jiang, Liqin. "Synthesis of thiocarbamoyl fluorides and isothiocyanates using CF3SiMe3 and elemental sulfur or AgSCF3 and KBr with amines". supporting information. p. 2106 - 2110. Retrieved 2019/03/26.