2,3-DIMETHYLPHENYL ISOTHIOCYANATE

Base Information

• Chemical Name: 2,3-DIMETHYLPHENYL ISOTHIOCYANATE
• CAS No.: 1539-20-4
• Molecular Formula: C9H9NS
• Molecular Weight: 163.243
• Mol file: 1539-20-4.mol

Synonyms:Isothiocyanicacid, 2,3-xylyl ester (7CI,8CI);2,3-Dimethylphenyl isothiocyanate;2,3-Xylylisothiocyanate;

Chemical Property of 2,3-DIMETHYLPHENYL ISOTHIOCYANATE

Chemical Property:

• Vapor Pressure: 0.00655mmHg at 25°C
• Melting Point: 22-23 °C
• Refractive Index: 1.554
• Boiling Point: 280.1 °C at 760 mmHg
• Flash Point: 125.8 °C
• Density: 1.01 g/cm³

Purity/Quality:

98%min ^*data from raw suppliers

2,3-DimethylphenylIsothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C
• Hazard Codes: Xi,C
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,3-DIMETHYLPHENYL ISOTHIOCYANATE

There total 8 articles about 2,3-DIMETHYLPHENYL 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: 82.0%

carbon disulfide (75-15-0,12122-00-8) + 2,3-Dimethylaniline (87-59-2) → 1-isothiocyanato-2,3-dimethylbenzene (1539-20-4)

Guidance literature:

carbon disulfide; 2,3-Dimethylaniline; In water; ethyl acetate; at 30 ℃; for 1h;

With copper(ll) sulfate pentahydrate; In water; ethyl acetate; at 30 ℃; for 1h;

DOI:10.1039/d1ob00938a

Reference yield:

thiophosgene (463-71-8) + 2,3-Dimethylaniline (87-59-2) → 1-isothiocyanato-2,3-dimethylbenzene (1539-20-4)

Guidance literature:

With chloroform; water; at 15 ℃;

Reference yield:

C9H11NS2*C6H12N2 → 1-isothiocyanato-2,3-dimethylbenzene (1539-20-4)

Guidance literature:

With bis(trichloromethyl) carbonate; In chloroform; at 0 - 20 ℃; for 4.5h;

DOI:10.1080/00397911.2013.783600

upstream raw materials:

N,N'-bis-(2,3-dimethyl-phenyl)-thiourea

acetic anhydride

thiophosgene

2,3-Dimethylaniline

Downstream raw materials:

aziridine-1-carbothioic acid-(2,3-dimethyl-anilide)

hydrazine-N,N'-bis-carbothioic acid anilide-(2,3-dimethyl-anilide)

4,4'-Di(2,3-dimethylphenyl)bis-malonylthiosemicarbazide

C₂₀H₂₅N₅OS₂

Refernces

• 1、 Qin, Junhu,Zhu, Mei,Zhu, Hongmei,Zhang, Liqiong,Fu, Yihong,Liu, Jiamin,Wang, Zhenchao,OuYang, Guiping. "Synthesis and antitumor activity of novel pyridazinone derivatives containing 1,3,4-thiadiazole moiety". . p. 592 - 599. Retrieved 2020/03/16.
• 2、 Khan, Imtiaz,Hanif, Muhammad,Rama, Nasim Hasan,Hussain, Muhammad Tahir,Khan, Aftab Ahmed,Aslam, Muhammad Adil S.,Iqbal, Jamshed. "Synthesis, acetylcholinesterase and alkaline phosphatase inhibition of some new 1,2,4-triazole and 1,3,4-thiadiazole derivatives". . p. 1413 - 1419,7. Retrieved 2020/09/02.