2,4-DIMETHYLPHENYL ISOTHIOCYANATE

Base Information

• Chemical Name: 2,4-DIMETHYLPHENYL ISOTHIOCYANATE
• CAS No.: 39842-01-8
• Molecular Formula: C9H9NS
• Molecular Weight: 163.243
• Hs Code.: 29309090
• Mol file: 39842-01-8.mol

Synonyms:2,4-Dimethylphenylisothiocyanate;2,4-Xylyl isothiocyanate;

Chemical Property of 2,4-DIMETHYLPHENYL ISOTHIOCYANATE

Chemical Property:

• Vapor Pressure: 0.0147mmHg at 25°C
• Melting Point: 27 °C
• Refractive Index: 1.6230
• Boiling Point: 265.8 °C at 760 mmHg
• Flash Point: 115.8 °C
• PSA: 44.45000
• Density: 1.01 g/cm³
• LogP: 3.03770
• Sensitive.: Moisture Sensitive

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dimethylphenyl Isothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 2,4-DIMETHYLPHENYL ISOTHIOCYANATE

There total 14 articles about 2,4-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: 96.0%

C6H15N*C9H11NS2 (56615-73-7) → 2,4-dimethylphenylisothiocyanate (39842-01-8)

Guidance literature:

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

DOI:10.1039/c8gc02261e

Reference yield: 93.0%

N-(2,4-dimethylphenyl)formamide (60397-77-5) → 2,4-dimethylphenylisothiocyanate (39842-01-8)

Guidance literature:

With bis(trichloromethyl) carbonate; sulfur; triethylamine; selenium; In dichloromethane; for 6h; Heating;

DOI:10.1080/00304940409355967

Reference yield: 80.0%

C9H10NS2(1-) → 2,4-dimethylphenylisothiocyanate (39842-01-8)

Guidance literature:

With iron(III) chloride; sodium acetate; In acetone; at 20 ℃; for 2h;

DOI:10.1080/10426507.2020.1716755

upstream raw materials:

bis(2,4-dimethylphenyl)thiourea

thiophosgene

2,4-Xylidine

(2,4-dimethyl-phenyl)-dithiocarbamic acid methyl ester

Downstream raw materials:

azetidine-1-carbothioic acid-(2,4-dimethyl-anilide)

bis(2,4-dimethylphenyl)thiourea

3-(2,4-Dimethyl-phenyl)-1-isobutyl-1-methyl-thiourea

1-Benzyl-3-(2,4-dimethyl-phenyl)-1-methyl-thiourea

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、 Fu, Zhicheng,Yuan, Wenhao,Chen, Ning,Yang, Zhanhui,Xu, Jiaxi. "Na2S2O8-mediated efficient synthesis of isothiocyanates from primary amines in water". supporting information. p. 4484 - 4491. Retrieved 2018/10/17.