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2-Benzo[b]furan-3-ylethanol, also known as 3-(2-Furyl)-1-ethanol, is a chemical compound with the molecular formula C10H10O2. It belongs to the organic class of compounds known as benzofurans, which are organic compounds containing a benzene ring fused to a furan ring. Benzofurans are a commonly occurring structure in many pharmaceuticals and natural products. 2-Benzo[b]furan-3-ylethanol shows potential utility in organic synthesis and other chemical applications due to its reactive benzo[b]furan moiety. The properties of this compound, like its structure and stability, are determined by its molecular structure and its specific arrangement of atoms.

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  • 75611-06-2 Structure
  • Basic information

    1. Product Name: 2-BENZO[B]FURAN-3-YLETHANOL
    2. Synonyms: 2-BENZO[B]FURAN-3-YLETHANOL;2-Benzo[b]furan-3-ylethanol 95%;2-(Benzofuran-3-yl)ethanol;2-(1-Benzofuran-3-yl)ethan-1-ol, 2-(Benzo[b]furan-3-yl)ethan-1-ol;3-(2-Hydroxyethyl)benzo[b]furan 95%
    3. CAS NO:75611-06-2
    4. Molecular Formula: C10H10O2
    5. Molecular Weight: 162.19
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 75611-06-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 279.793 °C at 760 mmHg
    3. Flash Point: 123.015 °C
    4. Appearance: /
    5. Density: 1.187 g/cm3
    6. Vapor Pressure: 0.002mmHg at 25°C
    7. Refractive Index: 1.612
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 14.78±0.10(Predicted)
    11. CAS DataBase Reference: 2-BENZO[B]FURAN-3-YLETHANOL(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-BENZO[B]FURAN-3-YLETHANOL(75611-06-2)
    13. EPA Substance Registry System: 2-BENZO[B]FURAN-3-YLETHANOL(75611-06-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 75611-06-2(Hazardous Substances Data)

75611-06-2 Usage

Uses

Used in Pharmaceutical Industry:
2-Benzo[b]furan-3-ylethanol is used as a key intermediate in the synthesis of various pharmaceutical compounds for its reactive benzo[b]furan moiety. Its presence in the molecular structure allows for the creation of new drug candidates with potential therapeutic applications.
Used in Organic Synthesis:
2-Benzo[b]furan-3-ylethanol is used as a building block in the synthesis of complex organic molecules. Its unique structure and reactivity make it a valuable component in the development of new organic compounds with diverse applications.
Used in Natural Product Synthesis:
2-Benzo[b]furan-3-ylethanol is used as a precursor in the synthesis of natural products that contain the benzofuran ring system. This allows for the production of bioactive compounds with potential applications in medicine and other fields.

Check Digit Verification of cas no

The CAS Registry Mumber 75611-06-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,5,6,1 and 1 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 75611-06:
(7*7)+(6*5)+(5*6)+(4*1)+(3*1)+(2*0)+(1*6)=122
122 % 10 = 2
So 75611-06-2 is a valid CAS Registry Number.
InChI:InChI=1/C10H10O2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2

75611-06-2SDS

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-(Benzofuran-3-yl)ethanol

1.2 Other means of identification

Product number -
Other names 2-(1-benzofuran-3-yl)ethanol

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:75611-06-2 SDS

75611-06-2Relevant articles and documents

Synthesis and antidepressant-like activity of novel aralkyl piperazine derivatives targeting SSRI/5-HT1A/5-HT7

Gu, Zheng-Song,Zhou, Ai-nan,Xiao, Ying,Zhang, Qing-Wei,Li, Jian-Qi

, p. 701 - 715 (2018/01/03)

A series of novel aralkyl piperazine derivatives were synthesized, and evaluated for their serotonin reuptake inhibitory and 5-HT1A/5-HT7 receptors affinities activity. Antidepressant activities in vivo of the compounds were screened using the forced swimming test (FST) and tail suspension test (TST). The results indicated that compounds 21k (RUI, IC50 = 31 nM; 5-HT1A, 5-HT7, ki = 62, 12 nM) and 21n (RUI, IC50 = 25 nM; 5-HT1A, 5-HT7, ki = 28, 3.3 nM) exhibited high affinities for the 5-HT1A/5-HT7 receptors coupled with potent serotonin reuptake inhibition. Specifically, the most promising compound 21n possessed a good oral pharmacokinetic properties and an acceptable hERG profile, and showed potent antidepressant-like effect in the FST and TST models.

Asymmetric Organocatalytic Synthesis of Bisindoles – Scope and Derivatizations

Retich, Christina,Br?se, Stefan

supporting information, p. 60 - 77 (2018/01/17)

Starting from 3-vinylindoles and glyoxolate imines, we created a library of diverse 4,6-bis(1H-indole-3-yl)piperidine 2-carboxylates by using 10 mol-% of a chiral phosphoric acid. Utilising electron-withdrawing groups on the starting material during the r

BENZOFURAN AMIDES AND HETEROAROMATIC ANALOGUES THEREOF FOR USE IN THERAPY

-

, (2019/01/07)

The present invention relatesto a pharmaceutical composition comprising acompound of the formula Ias described belowor a tautomeror a pharmaceutically acceptable salt thereof; to the compound of the formula Ias described below or a tautomer or a phar- mac

Efficient Difluoromethylation of Alcohols Using TMSCF2Br as a Unique and Practical Difluorocarbene Reagent under Mild Conditions

Xie, Qiqiang,Ni, Chuanfa,Zhang, Rongyi,Li, Lingchun,Rong, Jian,Hu, Jinbo

supporting information, p. 3206 - 3210 (2017/03/17)

A general method for the efficient difluoromethylation of alcohols using commercially available TMSCF2Br (TMS=trimethylsilyl) as a unique and practical difluorocarbene source is developed. This method allows primary, secondary, and even tertiary alkyl difluoromethyl ethers to be synthesized under weakly basic or acidic conditions. The reaction mainly proceeds through the direct interaction between a neutral alcohol and difluorocarbene, which is different from the difluoromethylation of phenols. Moreover, alcohols containing other moieties that are also reactive toward difluorocarbene can be transformed divergently by using TMSCF2Br. This research not only solves the synthetic problem of difluorocarbene-mediated difluoromethylation of alcohols, it also provides new insights into the different reaction mechanisms of alcohol difluoromethylation and phenol difluoromethylation with difluorocarbene species.

OPIOID RECEPTOR MODULATORS

-

Page/Page column 97; 98, (2016/06/14)

The present invention provides a compound having the structure wherein A is a ring structure, with or without substitution; X1 is C or N; X2 is N, 0, or S; Y1 is H, -(alkyi), -(alkenyl), -(alkynyl), -(cycloalkyi), (haloalkyi), -(alkyl)-O-(alkyl) or -(alky

Constructing iboga alkaloids via C-H bond functionalization: Examination of the direct and catalytic union of heteroarenes and isoquinuclidine alkenes

Kruegel, Andrew C.,Rakshit, Souvik,Li, Xiaoguang,Sames, Dalibor

, p. 2062 - 2071 (2015/10/12)

The iboga alkaloids have attracted considerable attention in both the scientific community and popular media due to their reported ability to reverse or markedly diminish cravings for, and self-administration of, the major drugs of abuse. We have developed three new intramolecular C-H functionalization procedures leading to the core seven-membered ring of the iboga skeleton, a cyclization that proved to be highly challenging. The electrophilic palladium salt Pd(CH3CN)4(BF4)2 was effective for the cyclization of diverse N-(2-arylethyl)isoquinuclidines with yields of 10-35%. A two-step, bromination-reductive Heck reaction protocol was also effective for the synthesis of ibogamine in 42% yield. Finally, a direct Ni(0)-catalyzed C-H functionalization provided the benzofuran analogues of ibogamine (74%) and epi-ibogamine (38%). Although each approach suffers from significant shortcomings, in combination, the methods described provide practical routes to diverse ibogamine analogues.

SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS

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Page/Page column 101; 102, (2013/03/26)

The invention provides a compound having the structure (I), wherein A is a substituted or unsubstituted ring; Z is present or absent and when present is (II), wherein n is 0, 1, 2, 3, or 4; Y is -(CR11R12)-, -NH(CR11R12)- or -O(CR11R12)- wherein R11 and R12 are each hydrogen or combine to form a carbonyl; and wherein R1 to R10 are herein as described.

Synthesis of new series of iboga analogues

Paul, Sibasish,Pattanayak, Sankha,Sinha, Surajit

supporting information; experimental part, p. 6166 - 6169 (2011/12/01)

Synthesis of new iboga-analogues, replacing the indole ring with a benzofuran moiety has been described. Starting materials are the suitably substituted benzofuran derivatives and have been synthesized by Pd-catalyzed reactions. The conversion of endo-6-m

Novel benzofuran derivatives with dual 5-HT1A receptor and serotonin transporter affinity

Venkatesan, Aranapakam M.,Dos Santos,Ellingboe, John,Evrard, Deborah A.,Harrison, Boyd L.,Smith, Deborah L.,Scerni, Rosemary,Hornby, Geoffrey A.,Schechter, Lee E.,Andree, Terrence H.

scheme or table, p. 824 - 827 (2010/06/13)

Several benzofuran derivatives linked to a 3-indoletetrahydropyridine through an alkyl chain were prepared and evaluated for serotonin transporter and 5-HT1A receptor affinities. Their design, synthesis and structure-activity relationships are described.

BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE

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Page/Page column 21, (2009/04/24)

Benzofuranyl- and benzothienyl-piperzinyl quinoline derivatives and compositions containing such compounds are disclosed. Methods of using benzofuranyl- and benzothienyl-piperzinyl quinoline derivatives and compositions containing such composition in the treatment and/or prevention of serotonin-related disorders, such as depression and anxiety, are also disclosed. In addition, processes for the preparation of benzofuranyl- and benzothienyl-piperzinyl quinoline derivatives are disclosed.

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