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4-(2-Hydroxyethyl)benzonitrile, also known as HEBN, is an organic compound with the molecular formula C9H9NO. It is a colorless to pale yellow liquid with a characteristic odor. HEBN is a synthetic chemical that serves as a versatile intermediate in the production of various organic compounds.

69395-13-7

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69395-13-7 Usage

Uses

Used in Chemical Synthesis:
4-(2-Hydroxyethyl)benzonitrile is used as an organic intermediate for the production of 4-(2-bromo-ethyl)-benzonitrile. This intermediate is crucial in the synthesis of various organic compounds, including pharmaceuticals, agrochemicals, and other specialty chemicals.
In the pharmaceutical industry, 4-(2-Hydroxyethyl)benzonitrile can be used as a building block for the development of new drugs with potential therapeutic applications. Its unique structure allows for further functionalization and modification to create molecules with specific biological activities.
Additionally, in the agrochemical sector, HEBN can be utilized to synthesize new compounds with pesticidal, herbicidal, or fungicidal properties, contributing to the development of more effective and environmentally friendly products.

Check Digit Verification of cas no

The CAS Registry Mumber 69395-13-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,9,3,9 and 5 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 69395-13:
(7*6)+(6*9)+(5*3)+(4*9)+(3*5)+(2*1)+(1*3)=167
167 % 10 = 7
So 69395-13-7 is a valid CAS Registry Number.
InChI:InChI=1/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2

69395-13-7 Well-known Company Product Price

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  • Alfa Aesar

  • (41283)  4-(2-Hydroxyethyl)benzonitrile, 98%   

  • 69395-13-7

  • 250mg

  • 641.0CNY

  • Detail
  • Alfa Aesar

  • (41283)  4-(2-Hydroxyethyl)benzonitrile, 98%   

  • 69395-13-7

  • 1g

  • 2097.0CNY

  • Detail
  • Alfa Aesar

  • (41283)  4-(2-Hydroxyethyl)benzonitrile, 98%   

  • 69395-13-7

  • 5g

  • 9095.0CNY

  • Detail

69395-13-7SDS

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-(2-Hydroxyethyl)Benzonitrile

1.2 Other means of identification

Product number -
Other names 4-(2-HYDROXYETHYL)BENZONITRILE

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

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More Details:69395-13-7 SDS

69395-13-7Relevant academic research and scientific papers

Epoxide Electroreduction

Huang, Cheng,Lu, Qingquan,Ma, Wan,Qi, Xiaotian,Xu, Minghao,Zheng, Xuelian

, p. 1389 - 1395 (2022/01/19)

Selective hydrogenation of epoxides would be a direct and powerful approach for alcohol synthesis, but it has proven to be elusive. Here, electrochemically epoxide hydrogenation using electrons and protons as reductants is reported. A wide range of primary, secondary, and tertiary alcohols can be achieved through selective Markovnikov or anti-Markovnikov ring opening in the absence of transition metals. Mechanistic investigations revealed that the regioselectivity is controlled by the thermodynamic stabilities of the in situ generated benzyl radicals for aryl-substituted epoxides and the kinetic tendency for Markovnikov selective ring opening for alkyl-substituted epoxides.

Regiodivergent Reductive Opening of Epoxides by Catalytic Hydrogenation Promoted by a (Cyclopentadienone)iron Complex

Tadiello, Laura,Gandini, Tommaso,Stadler, Bernhard M.,Tin, Sergey,Jiao, Haijun,de Vries, Johannes G.,Pignataro, Luca,Gennari, Cesare

, p. 235 - 246 (2022/01/03)

The reductive opening of epoxides represents an attractive method for the synthesis of alcohols, but its potential application is limited by the use of stoichiometric amounts of metal hydride reducing agents (e.g., LiAlH4). For this reason, the corresponding homogeneous catalytic version with H2 is receiving increasing attention. However, investigation of this alternative has just begun, and several issues are still present, such as the use of noble metals/expensive ligands, high catalytic loading, and poor regioselectivity. Herein, we describe the use of a cheap and easy-To-handle (cyclopentadienone)iron complex (1a), previously developed by some of us, as a precatalyst for the reductive opening of epoxides with H2. While aryl epoxides smoothly reacted to afford linear alcohols, aliphatic epoxides turned out to be particularly challenging, requiring the presence of a Lewis acid cocatalyst. Remarkably, we found that it is possible to steer the regioselectivity with a careful choice of Lewis acid. A series of deuterium labeling and computational studies were run to investigate the reaction mechanism, which seems to involve more than a single pathway.

Selective A2A receptor antagonist

-

, (2018/12/14)

The invention provides a selective A2A receptor antagonist. In specific, the invention provides the selective A2A receptor antagonist shown in the formula (I), a drug composition containing the same and the pharmacy application and treatment application t

Antiproliferative activity and SARs of caffeic acid esters with mono-substituted phenylethanols moiety

Xie, Jin,Yang, Fengzhi,Zhang, Man,Lam, Celine,Qiao, Yixue,Xiao, Jia,Zhang, Dongdong,Ge, Yuxuan,Fu, Lei,Xie, Dongsheng

supporting information, p. 131 - 134 (2016/12/27)

A series of CAPE derivatives with mono-substituted phenylethanols moiety were synthesized and evaluated by MTT assay on growth of 4 human cancer cell lines (Hela, DU-145, MCF-7 and ECA-109). The substituent effects on the antiproliferative activity were systematically investigated for the first time. It was found that electron-donating and hydrophobic substituents at 2′-position of phenylethanol moiety could significantly enhance CAPE's antiproliferative activity. 2′-Propoxyl derivative, as a novel caffeic acid ester, exhibited exquisite potency (IC50?=?0.4?±?0.02 & 0.6?±?0.03?μM against Hela and DU-145 respectively).

Indole derivatives and pharmaceutical composition comprising the same for treating or preventing disease related to RAGE

-

Paragraph 0635-0640, (2021/10/25)

A novel indole-based derivative acceptable salt, and manufacturing method thereof including RAGE associated pharmaceutical composition for the prevention or the treatment of disorders the disclosure. Herein a derivative indole-based according to by antagonism in RAGE, nerve cells with the Amyloid-beta peptide loses purpose: a method of fabricating a apparatus move into brain, Alzheimer's disease associated RAGE disease, cerebrovascular dementia, dementia due to damage bean curd, multi blockade dementia, Alzheimer's disease or the like dementia alcoholic or mixed dementia multi blockade and including dementia, pick (pick) bottle, a smartcrew [...] -Jakob (Creutzfeldt-jakob) bottle, that thyroid gland symptoms , bean curd a blade Parkinson (Parkinson) bottle, Huntington's disease (Huntington) which is useful in preventing or treating, can be used.

A General, Practical Triethylborane-Catalyzed Reduction of Carbonyl Functions to Alcohols

Peng, Dongjie,Zhang, Mintao,Huang, Zheng

supporting information, p. 14737 - 14741 (2015/10/19)

A combination of the abundant and low-cost triethylborane and sodium alkoxide generates a highly efficient catalyst for reduction of esters, as well as ketones and aldehydes, to alcohols using an inexpensive hydrosilane under mild conditions. The catalyst system exhibits excellent chemoselectivity and a high level of functional group tolerance. Mechanistic studies revealed a resting state of sodium triethylalkoxylborate that is the product of the reaction of BEt3 with sodium alkoxide. This borate species reacts with hydrosilane to form NaBEt3H, which rapidly reduces esters.

Continuous-flow synthesis of monoarylated acetaldehydes using aryldiazonium salts

Chernyak, Natalia,Buchwald, Stephen L.

, p. 12466 - 12469 (2012/09/05)

Anilines and ethyl vinyl ether can be used as precursors for a process that is the synthetic equivalent of the α-arylation of acetaldehyde enolate. The reaction manifests a high level of functional group compatibility, allowing the ready preparation of a number of synthetically valuable compounds.

Smiles-type free radical rearrangement of aromatic sulfonates and sulfonamides: Syntheses of arylethanols and arylethylamines

Tada, Masaru,Shijima, Hiroyasu,Nakamura, Masaharu

, p. 2499 - 2505 (2007/10/03)

Smiles-type free radical rearrangements of arenesulfonates and arenesulfonamides are exploited for synthetic purposes. 4-Substituted benzenesulfonates cause Smiles-type rearrangement only when substituted by an electron withdrawing group. Therefore, ipso-sttack by an alkyl radical on arenesulfonates takes place in an electrophilic manner. Arenesulfonamides rearrange only when the amide nitrogen is substituted by an alkoxycarbonyl group, due to the electron withdrawing nature of this group. Sulfonates and the N-ethoxycarbonylsulfonamide derivatives of naphthalene, quinoline, and thiophene cause more rearrangement and show synthetic utility. Aromatic amino acid analogues were synthesized by Smiles-type rearrangement with moderate yields. The radical Smiles-type rearrangement of sulfonate and sulfonamide derivatives can be a useful synthetic route when we understand the electronic character of these reactions.

Synthesis of 4-(4-Amidinophenyl)-2-arylsulphonylaminobutyric Acid Amides

Wagner, G.,Vieweg, H.

, p. 13 - 16 (2007/10/02)

4-(4-Amidinophenyl)-2-arylsulphonylaminobutyric acid amides with differing amide and arylsulphonyl components were synthetized to test their inhibitory activity against serine proteinases.For the purpose of preparing these compounds, β-(4-cyanophenyl)ethylbromide (5) was reacted with acetaminomalonic acid diethyl ester to give 6, the acid hydrolysis of which yielded predominantly 4-(4-carbamoylphenyl)-2-aminobutyric acid (7).The simultaneously formed dicarboxylic acid 9 was separated after N-arylsulphonylation.The reaction of the N-arylsulphonylated acids 10-15 with thionyl chloride afforded acid chlorides (16-18) with a cyano function from which carboxylic acid amides (19-39) were obtained by reaction with diffrent amines.These compounds were converted into the hydroiodides of the compounds named in the title via the thioamides and the thioimidic acid ester hydroiodides.

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