3125-77-7

Usage

Uses

Used in Organic Synthesis:
1,3-Phenylene diisothiocyanate 97 is used as a reagent in organic synthesis for its ability to form strong covalent bonds with nucleophilic functional groups.
Used in Manufacturing of Dyes and Pigments:
1,3-Phenylene diisothiocyanate 97 is used as a key component in the production of various dyes and pigments.
Used in Pharmaceutical Industry:
1,3-Phenylene diisothiocyanate 97 is used in the manufacturing of pharmaceuticals due to its reactivity and ability to form covalent bonds.
Safety Precautions:
It is important to handle 1,3-Phenylene diisothiocyanate 97 with care as it can cause irritation to the skin, eyes, and respiratory system upon exposure.

InChI:InChI=1/C8H4N2S2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H

Upstream product

• 75-15-0 carbon disulfide 
• 108-45-2 m-phenylenediamine 
• 463-71-8 thiophosgene 
• 67-66-3 chloroform 
• 102368-13-8 1,1'-Thiocarbonyldi-2(1H)-pyridone 
• 19972-68-0 N,N'-(1,3-Phenylene)bis(methyldithiocarbamate) 
• 123-61-5 1,3-Phenylene diisocyanate 
• 541-69-5 m-phenylenediamine dihydrochloride 

Downstream Products

• 2591-01-7 1,3-phenylenebisthiourea 
• 19364-40-0 N,N′-(1,3-phenylene)bis(hydrazinecarbothioamide) 
• 626-17-5 benzene-1,3-dicarbonitrile 
• 495418-25-2 C₂₆H₂₆N₄O₆S₂ 
• 1620480-66-1 1,3-bis([N-[2,2']-bipyridin-5-yl-methyl]-thioureido)benzene 
• 1158595-76-6 1,3-bis(2,5-dihydro-2,2-dimethyl-1,3,4-thiadiazol-5-ylideneamino)benzene 
• 16349-51-2 3,3,3',3'-tetraethyl-1,1'-m-phenylene-bis-thiourea 
• 111102-49-9 N,N'-(1,3-phenylene)bis(4-methoxybenzothioamide) 
• 20996-09-2 N,N'-m-phenylene-bis-thiocarbamic acid O,O'-diethyl ester 
• 711019-86-2 MRS-2578 
• 92349-37-6 N,N'-bis-[1,2,3,4]thiatriazol-5-yl-benzene-1,3-diamine 
• 96955-14-5 1,3-Bis--benzol 

Relevant academic research and scientific papers

Synthesis of isothiocyanates using DMT/NMM/TsO? as a new desulfurization reagent

Thirty-three alkyl and aryl isothiocyanates, as well as isothiocyanate derivatives from esters of coded amino acids and from esters of unnatural amino acids (6-aminocaproic, 4-(aminomethyl)benzoic, and tranexamic acids), were synthesized with satisfactory or very good yields (25–97%). Synthesis was performed in a “one-pot”, two-step procedure, in the presence of organic base (Et3 N, DBU or NMM), and carbon disulfide via dithiocarbamates, with 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium toluene-4-sulfonate (DMT/NMM/TsO? ) as a desulfurization reagent. For the synthesis of aliphatic and aromatic isothiocyanates, reactions were carried out in a microwave reactor, and selected alkyl isothiocyanates were also synthesized in aqueous medium with high yields (72–96%). Isothiocyanate derivatives of L-and D-amino acid methyl esters were synthesized, under conditions without microwave radiation assistance, with low racemization (er 99 > 1), and their absolute configuration was confirmed by circular dichroism. Isothiocyanate derivatives of natural and unnatural amino acids were evaluated for antibacterial activity on E. coli and S. aureus bacterial strains, where the most active was ITC 9e.

NSCLC structure-activity relationship (sar) study of diisothiocyanates for antiproliferative activity on A549 Human non-small cell lung carcinoma (NSCLC)

Isothiocyanate functional group (-N=C=S) is widely accepted as an important moiety for anti-cancer effects of naturally occurring isothiocyanate compounds (ITCs). Herein, a series of diisothiocyanate (diITCs) derivatives were synthesized and evaluated in antiproliferative assays on A549 human non-small cell lung cancer and IMR90 human foetal lung cell lines for structure-activity relationship (SAR) and cancer cell selectivity studies. Results showed that aliphatic and benzylic diITCs were more cytotoxic to A549 cells than natural ITCs; benzyl isothiocyanate (BITC) and phenyl isothiocyanate (PITC), and a currently available anticancer drug; etoposide. Aromatic diITCs were not as active. Notably, most of the diITCs reported in this work were significantly more selective than etoposide to inhibit proliferation of the cancer cells (A549) over the normal cells (IMR90). This study demonstrated a guideline to modify chemical structures of diITCs for anti-NSCLC agents.

Direct, Microwave-Assisted Synthesis of Isothiocyanates

A microwave-assisted desulfuration of readily available dithiocarbamates, formed in situ from primary amines, leading to target isothiocyanates has been developed. This efficient protocol provides a rapid, environmentally benign route to aliphatic and aromatic isothiocyanates.

A sulfur key Lian Niao multifunctional synergistic antioxidant stabilizer preparation method

The invention relates to a preparation method of a multi-functional synergetic anti-oxidative stabilizer for sulfide bond linked urea. The preparation method comprises the following steps: (1) adding organic amine into CS2 and alkali to react; adding meth

A thiourea-functionalized metal-organic macrocycle for the catalysis of Michael additions and prominent size-selective effect

A discrete tetranuclear thiourea-based metal-organic macrocycle (MOM) with a large size was constructed by a well-designed organic ligand and nickel(ii) ions via self-assembly. Incorporating thiourea groups as hydrogen-bond donors into a metal-organic com

A biological alkali dimer derivative products and method for preparing same

The invention belongs to the technical field of applications of alkaloids to asymmetric organocatalysis and particularly relates to an alkaloid dipolymer derivative product and a preparation method thereof. An alkaloid dipolymer derivative is formed by in

Design and synthesis of novel C2-symmetric bis-cinchona alkaloid derivatives

Background: The commercially available dimeric cinchona alkaloids based on C-9 ether bond connecting are limited by the absence of Bronsted acid moiety and cannot meet the enantioselectivity demand. Objective: In this study, a family of novel C2/sub

A thiourea multifunctional synergistic antioxidant stabilizer and its preparation method and application

The invention relates to a multi-functional synergetic anti-oxidative stabilizer for thiourea as well as a preparation method and application thereof. The multi-functional synergetic anti-oxidative stabilizer has a structure shown in the specification, wh

NEW CHEMICAL COMPOUNDS

The present invention enco mpasses co mpounds o f general formula (1) wherein R1, M1, L1 and Q are defined as in claim 1, which are suitable for the treatment of diseases characterised by excessive or anomalous cell prolif

Synthesis and antifungal activities of phenylenedithioureas

A total of 20 new phenylenedithiourea derivatives was synthesized by reaction of phenylenediisothiocyanates with aromatic amines as aminobenzoic, aminosalicylic acid and their derivatives. Their chemical structures were confirmed by elemental analysis, IR spectrometry and 1H NMR. The compounds were screened for in vitro antifungal, antibacterial activities and some of them have strong antifungal activities comparable to the activity observed for ketoconazole.