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4-Phenylthiobutyronitrile, also known as PTBN, is a chemical compound characterized by a butyronitrile group with a phenylthio substituent. It is a colorless to pale yellow liquid with a pungent odor, and is recognized for its versatility as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals.

35756-39-9

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35756-39-9 Usage

Uses

Used in Pharmaceutical Industry:
4-Phenylthiobutyronitrile is used as a versatile intermediate for the synthesis of various pharmaceuticals and bioactive compounds. Its unique chemical structure allows it to be a precursor in the manufacture of a range of medicinal agents, contributing to the development of new treatments and therapies.
Used in Agrochemical Industry:
In the agrochemical sector, 4-Phenylthiobutyronitrile serves as a key component in the production of certain agrochemicals. Its role in this industry is to provide a foundation for the creation of compounds that can be used in pest control and crop protection, thereby supporting agricultural productivity and food security.
Used in Specialty Chemicals Production:
4-Phenylthiobutyronitrile is also utilized in the synthesis of specialty chemicals, which are high-value compounds used in specific applications across various industries. Its presence in these formulations is crucial for achieving desired properties and performance characteristics in end products.
It is important to handle 4-Phenylthiobutyronitrile with care due to its potential to cause irritation to the skin, eyes, and respiratory system upon exposure. Moreover, proper management and disposal are essential to mitigate any environmental and health risks associated with this chemical compound.

Check Digit Verification of cas no

The CAS Registry Mumber 35756-39-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,5,7,5 and 6 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 35756-39:
(7*3)+(6*5)+(5*7)+(4*5)+(3*6)+(2*3)+(1*9)=139
139 % 10 = 9
So 35756-39-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H11NS/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,9H2

35756-39-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-phenylsulfanylbutanenitrile

1.2 Other means of identification

Product number -
Other names 4-phenylsulfanyl-butyronitrile

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:35756-39-9 SDS

35756-39-9Relevant academic research and scientific papers

Transition-metal-free decarboxylative thiolation of stable aliphatic carboxylates

Xing, Wei-Long,Liu, De-Guang,Fu, Ming-Chen

, p. 4593 - 4597 (2021/02/03)

A transition-metal-free decarboxylative thiolation protocol is reported in which primary, secondary, tertiary (hetero)aryl acetates and α-CN substituted acetates undergo the decarboxylative thiolation smoothly, to deliver a variety of functionalized aryl alkyl sulfides in moderate to excellent yields. Aryl diselenides are also amenable substrates for construction of C-Se bonds under the simple and mild reaction conditions. Moreover, the protocol is successfully applied to the late-stage modification of pharmaceutical carboxylates with satisfactory chemoselectivity and functional-group compatibility. This journal is

Nickel-Catalyzed Thiolation and Selenylation of Cycloketone Oxime Esters with Thiosulfonate or Seleniumsulfonate

Li, Jian,Wang, Shun-Yi,Ji, Shun-Jun

, p. 16147 - 16156 (2019/12/27)

A nickel-catalyzed ring opening and, subsequently, reductive cross-coupling of cycloketone oxime esters with thiosulfonate or seleniumsulfonate are reported, which involves C-C bond cleavage and C(sp3)-S or C(sp3)-Se bond formation. Notably, S-aryl/alkyl sulfonothioates and Se-alkyl seleniumsulfonothioates could be employed in this reaction to afford a variety of 1° and 2° alkyl sulfides, aryl sulfides, and 1° and 2° alkyl selenides in one step. This strategy features easily available substrates and mild reaction conditions.

A photocatalytic sp3 C-S, C-Se and C-B bond formation through C-C bond cleavage of cycloketone oxime esters

Anand, Devireddy,He, Yuwei,Li, Linyong,Zhou, Lei

, p. 533 - 540 (2019/01/24)

The photocatalytic thiolation, selenylation and borylation of cycloketone oxime esters through iminyl radical-triggered C-C bond cleavage were described. The reactions provide a unified approach to alkyl sulfur, selenium and boron compounds tethered to a

One-pot synthesis of symmetrical and unsymmetrical aryl sulfides by Pd-catalyzed couplings of aryl halides and thioacetates

Park, Namjin,Park, Kyungho,Jang, Mihee,Lee, Sunwoo

experimental part, p. 4371 - 4378 (2011/07/06)

Aryl sulfides were obtained from the coupling reaction of S-aryl (or S-alkyl) thioacetates and aryl bromides in the presence of palladium catalyst. This reaction method enables the one-pot synthesis of symmetrical and unsymmetrical diaryl sulfides by employing potassium thioacetate with aryl iodides and aryl bromides.

THE COMPATIBILITY OF THE CYANO AND ALKYL CHLORIDE FUNCTIONS IN PHENYLTHIOALKYLATION REACTIONS OF O-SILYLATED ENOLATES

Lee, Thomas V.,Visani, Naina

, p. 5559 - 5560 (2007/10/02)

The compatibility of the cyano group and of chlorides with the conditions of phenylthioalkylation of O-silylated enolates has been demonstrated.

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