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Thiocyanic acid, 2-methylphenyl ester, also known as 2-methylphenyl thiocyanate, is an organic compound with the chemical formula C8H7NS. It is derived from thiocyanic acid, where the hydrogen atom is replaced by a 2-methylphenyl group. Thiocyanic acid, 2-methylphenyl ester is a colorless to pale yellow liquid with a pungent odor and is soluble in organic solvents. It is primarily used as an intermediate in the synthesis of various organic compounds, particularly in the production of pharmaceuticals and agrochemicals. Due to its reactivity, it is important to handle Thiocyanic acid, 2-methylphenyl ester with care, as it can be toxic and may cause skin and eye irritation.

5285-88-1

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5285-88-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5285-88-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,2,8 and 5 respectively; the second part has 2 digits, 8 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 5285-88:
(6*5)+(5*2)+(4*8)+(3*5)+(2*8)+(1*8)=111
111 % 10 = 1
So 5285-88-1 is a valid CAS Registry Number.

5285-88-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-methylphenyl thiocyanate

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5285-88-1 SDS

5285-88-1Relevant academic research and scientific papers

Straightforward Access to Thiocyanates via Dealkylative Cyanation of Sulfoxides

Todorovi?, Uro?,Klose, Immo,Maulide, Nuno

supporting information, p. 2510 - 2513 (2021/04/13)

Thiocyanates, versatile building blocks in organic synthesis, are shown to be easily accessible via an interrupted Pummerer reaction of sulfoxides. This facile dealkylative functionalization proceeds under mild conditions through electrophilic activation of the sulfoxide partner. The resulting thiocyanate itself can serve as a handle for diversification in a straightforward one-pot procedure.

Selectfluor-initiated cyanation of disulfides to thiocyanates

Zhou, Pengpeng,Chen, Chuan,Li, Shubai

, p. 376 - 380 (2020/02/13)

A Selectfluor-initiated cyanation of disulfides to thiocyanates has been developed. In this process, Selectfluor was employed as the oxidant and trimethylsilyl cyanide was used as the cyanation reagent. It provides an eco-friendly and simple way to synthesize the thiocyanates.

An electrochemical method for deborylative seleno/thiocyanation of arylboronic acids under catalyst- And oxidant-free conditions

He, Dongdong,Yao, Jiaojiao,Ma, Boling,Wei, Jinghao,Hao, Guangguo,Tuo, Xun,Guo, Shengmei,Fu, Zhengjiang,Cai, Hu

supporting information, p. 1559 - 1564 (2020/03/26)

An electrochemical deborylative seleno/thiocyanation of arylboronic acids has been well established to synthesize the corresponding aryl seleno/thiocyanates with good functional group tolerance under ambient conditions. A gram-scale reaction has been performed to highlight the advantages of the protocol. Preliminary mechanistic studies indicate that the oxidation of the seleno/thiocyanate anion occurs prior to that of the arylboronic acid substrate in galvanostatic mode, and that free radicals are involved in the process.

Fluorium-Initiated Dealkylative Cyanation of Thioethers to Thiocyanates

Chen, Yang,Qi, Hongyi,Chen, Ning,Ren, Demin,Xu, Jiaxi,Yang, Zhanhui

, p. 9044 - 9050 (2019/08/12)

Thioethers are converted to thiocyanates via fluorium-initiated dealkylative cyanation. Selectfluor is used as the oxidant, and trimethylsilyl cyanide is used as the cyanation reagent. The well-streamlined procedure is user-friendly, operationally simple, and step-economical. The current mechanistic studies show that the sulfur radical cation and cyano radical are both involved. They combine to deliver cyanosulfonium, an intermediate toward thiocyanate after dealkylation. Alternatively, a nucleophilic mechanism is also possible. Our dealkyaltive cyanation is also efficient in synthesizing thiocyanates with strongly electrophilic functionalities.

N -Thiocyanato-dibenzenesulfonimide: A new electrophilic thiocyanating reagent with enhanced reactivity

Li, Chengqiu,Long, Pingliang,Wu, Haopeng,Yin, Hongquan,Chen, Fu-Xue

supporting information, p. 7131 - 7134 (2019/08/07)

A novel electrophilic thiocyanating reagent, N-thiocyanato-dibenzenesulfonimide, was prepared and exhibited enhanced electrophilicity with a wide scope of substrates. Thus, it reacted with activated aromatics such as phenols, indoles, anilines and anisoles without a catalyst giving the corresponding thicyanate derivatives in high yields, while TfOH for unactivated arenes and hetero aromatics and Zn(OTf)2 for ketones was used as the catalyst, respectively. It is noteworthy that internal alkenes and styrenes were bifunctionalized giving 1,2-amino thiocyanates in high yields.

Electrochemical ipso-Thiocyanation of Arylboron Compounds

Dyga, Marco,Hayrapetyan, Davit,Rit, Raja K.,Goo?en, Lukas J.

supporting information, p. 3548 - 3553 (2019/04/26)

An operationally simple electrochemical method for the transition-metal-free ipso-thiocyanation of arylboronic acids and aryl trifluoroborates has been developed. The SCN electrophile is generated in situ by anodic oxidation of thiocyanate anions, which avoids formation of salt waste and prevents unwanted side reactions arising from chemical oxidants. The reaction proceeds regiospecifically, and the scope extends to non-activated aromatic systems. (Figure presented.).

Synthesis of perfluoroalkyl thioethers from aromatic thiocyanates by iron-catalysed decarboxylative perfluoroalkylation

Exner, Benjamin,Bayarmagnai, Bilguun,Matheis, Christian,Goossen, Lukas J.

supporting information, p. 89 - 93 (2017/06/23)

Easily available aryl and heteroaryl thiocyanates were converted into the corresponding perfluoroalkyl thioethers via decarboxylation of potassium perfluoroalkylcarboxylates, catalysed by the inexpensive and environmentally benign iron(III) chloride.

Transition-metal-free synthesis of thiocyanato- or nitro-arenes through diaryliodonium salts

Li, Xiao-Hua,Li, Liang-Gui,Mo, Xue-Ling,Mo, Dong-Liang

, p. 963 - 970 (2016/07/07)

A transition-metal-free approach to facile synthesis of thiocyanato- and nitro-arenes was developed from KSCN (potassiumthiocyanate) or NaNO2with diaryliodonium salts in good yields under mild conditions. The reaction was compatible with a variety of sensitive functional substituents such as halides and nitro and ester groups. The usefulness of arylation products has been realized. (Formula Present).

A mild copper-catalyzed aerobic oxidative thiocyanation of arylboronic acids with TMSNCS

Sun, Nan,Che, Liusheng,Mo, Weimin,Hu, Baoxiang,Shen, Zhenlu,Hu, Xinquan

supporting information, p. 691 - 696 (2015/02/19)

A facile and efficient transformation of arylboronic acids to their corresponding aryl thiocyanates has been successfully developed. Based on the CuCl-catalyzed oxidative cross-coupling reaction between arylboronic acids and trimethylsilylisothiocyanate (TMSNCS) under oxygen atmosphere, the transformation can be readily conducted at ambient temperature. The newly-developed protocol provided a competitive synthetic approach to aryl thiocyanates that can tolerate a broad range of reactive functional groups and/or strong electron-withdrawing groups.

Synthesis of aryl thiocyanates via copper-catalyzed aerobic oxidative cross-coupling between arylboronic acids and KSCN

Sun, Nan,Zhang, Han,Mo, Weimin,Hu, Baoxiang,Shen, Zhenlu,Hu, Xinquan

supporting information, p. 1443 - 1447 (2013/07/26)

A new protocol for the preparation of aryl thiocyanates by the cross-coupling reaction of arylboronic acids with KSCN salt is described. The coupling reaction was catalyzed by 20 mol% of copper acetate in the presence of 2.0 equivalents 4-methylpyridine serving both as ligand and base under 0.2 MPa of molecular oxygen. A variety of arylboronic acids, including those with substituents at ortho position, were suitable under the reaction conditions. Georg Thieme Verlag Stuttgart · New York.

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