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3-(2-Fluoro-phenyl)-propan-1-ol is a chemical compound with the molecular formula C9H11FO. It is a colorless, slightly viscous liquid that is used in the synthesis of various organic compounds. This chemical is a derivative of propan-1-ol, with an added 2-fluoro-phenyl group attached to the third carbon atom. It is commonly used as a building block in the production of pharmaceuticals, agrochemicals, and other fine chemicals. It has also been studied for its potential pharmacological properties, including its potential as an analgesic and anti-inflammatory agent. Additionally, it is used as a precursor in the production of flavors and fragrances. Overall, 3-(2-fluoro-phenyl)-propan-1-ol is an important and versatile compound in the field of organic chemistry with various industrial and research applications.

76727-24-7

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76727-24-7 Usage

Uses

Used in Pharmaceutical Industry:
3-(2-Fluoro-phenyl)-propan-1-ol is used as a building block for the synthesis of various pharmaceuticals due to its versatile chemical structure and potential pharmacological properties.
Used in Agrochemical Industry:
3-(2-Fluoro-phenyl)-propan-1-ol is used as a precursor in the production of agrochemicals, contributing to the development of effective and targeted pest control solutions.
Used in Fine Chemicals Industry:
3-(2-Fluoro-phenyl)-propan-1-ol is utilized as a key intermediate in the synthesis of various fine chemicals, enhancing the performance and functionality of these specialty products.
Used in Flavors and Fragrances Industry:
3-(2-Fluoro-phenyl)-propan-1-ol is used as a precursor in the production of flavors and fragrances, adding unique and desirable scents to a wide range of consumer products.
Used in Research and Development:
3-(2-Fluoro-phenyl)-propan-1-ol is employed in research settings for the exploration of its potential as an analgesic and anti-inflammatory agent, as well as for the development of new organic compounds and materials.

Check Digit Verification of cas no

The CAS Registry Mumber 76727-24-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,6,7,2 and 7 respectively; the second part has 2 digits, 2 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 76727-24:
(7*7)+(6*6)+(5*7)+(4*2)+(3*7)+(2*2)+(1*4)=157
157 % 10 = 7
So 76727-24-7 is a valid CAS Registry Number.
InChI:InChI=1/C9H11FO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,3,5,7H2

76727-24-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(2-fluorophenyl)propan-1-ol

1.2 Other means of identification

Product number -
Other names AB3823

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:76727-24-7 SDS

76727-24-7Relevant academic research and scientific papers

NOVEL HETEROAROMATIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME

-

, (2021/07/24)

A compound selectively inhibiting Nav1.7 over Nav1.5 is provided. A heteroaromatic amide derivative or salt thereof showing high efficacy for various diseases associated with Nav1.7 such as pain, represented by the general formula (I) [wherein, X1-X2 is N-C or C-N, Y1 , Y2, Y3 and Y4 are -CH2-, -CR4aH- or -O- and so on, Z1 is-O- and so on, ring A is a 3- to 7-membered monocyclic aromatic ring and so on, R1a and R1b are a hydrogen atom or a halogen atom and so on, R2 is a hydrogen atom and so on, R3a, R3b and R3c are a hydrogen atom or an optionally substituted C1-C6 haloalkyl group and so on, R4a, R4b and R4c are, an optionally substituted C1-C6 haloalkyl group or C1-C6 haloalkoxy group and so on, R5a is a hydrogen atom and so on, R5a and R5b together form -CH2O- and so on, R6a and R6b are a hydrogen atom and so on, n is 1 or 2.].

NOVEL PHARMACEUTICAL COMPRISING HETEROAROMATIC AMIDE DERIVATIVE OR SALT THEREOF

-

, (2021/09/17)

PROBLEM TO BE SOLVED: To provide a compound useful for treating or preventing disease associated with voltage-dependent sodium channel (Nav1.7) such as disease involving a pain, disease involving an itch, autonomic nerve-associated disease, or a pharmaceutical composition thereof. SOLUTION: The present disclosure provides a compound illustrated by the following formula, and a pharmaceutical composition containing the same. SELECTED DRAWING: None COPYRIGHT: (C)2021,JPOandINPIT

Synthesis of N-Alkyl Anilines from Arenes via Iron-Promoted Aromatic C-H Amination

Falk, Eric,Gasser, Valentina C. M.,Morandi, Bill

supporting information, p. 1422 - 1426 (2021/03/08)

We report both an intermolecular C-H amination of arenes to access N-methylanilines and an intramolecular variant for the synthesis of tetrahydroquinolines. A newly developed, highly electrophilic aminating reagent was key for the direct synthesis of unprotected N-methylanilines from simple arenes. The reactions display a broad functional group tolerance and employ catalytic amounts of a benign iron salt under mild reaction conditions.

Umpolung Strategy for Arene C?H Etherification Leading to Functionalized Chromanes Enabled by I(III) N-Ligated Hypervalent Iodine Reagents

Mikhael, Myriam,Guo, Wentao,Tantillo, Dean J.,Wengryniuk, Sarah E.

supporting information, p. 4867 - 4875 (2021/09/14)

The direct formation of aryl C?O bonds via the intramolecular dehydrogenative coupling of a C?H bond and a pendant alcohol represents a powerful synthetic transformation. Herein, we report a method for intramolecular arene C?H etherification via an umpoled alcohol cyclization mediated by an I(III) N-HVI reagent. This approach provides access to functionalized chromane scaffolds from primary, secondary and tertiary alcohols via a cascade cyclization-iodonium salt formation, the latter providing a versatile functional handle for downstream derivatization. Computational studies support initial formation of an umpoled O-intermediate via I(III) ligand exchange, followed by competitive direct and spirocyclization/1,2-shift pathways. (Figure presented.).

Access to Trisubstituted Fluoroalkenes by Ruthenium-Catalyzed Cross-Metathesis

Nouaille, Augustin,Pannecoucke, Xavier,Poisson, Thomas,Couve-Bonnaire, Samuel

supporting information, p. 2140 - 2147 (2021/03/06)

Although the olefin metathesis reaction is a well-known and powerful strategy to get alkenes, this reaction remained highly challenging with fluororalkenes, especially the Cross-Metathesis (CM) process. Our thought was to find an easy accessible, convenient, reactive and post-functionalizable source of fluoroalkene, that we found as the methyl 2-fluoroacrylate. We reported herein the efficient ruthenium-catalyzed CM reaction of various terminal and internal alkenes with methyl 2-fluoroacrylate giving access, for the first time, to trisubstituted fluoroalkenes stereoselectively. Unprecedent TON for CM involving fluoroalkene, up to 175, have been obtained and the reaction proved to be tolerant and effective with a large range of olefin partners giving fair to high yields in metathesis products. (Figure presented.).

Site-Selective C(sp3)–H Functionalization of Fluorinated Alkanes Driven by Polar Effects Using a Tungstate Photocatalyst

Fukuyama, Takahide,Nishikawa, Tomohiro,Ryu, Ilhyong

supporting information, p. 1424 - 1428 (2019/09/12)

The TBADT-catalyzed C(sp3)–H functionalization of perfluorophenyl- and perfluoroalkyl-substituted alkanes was studied to determine how the fluorous substituents affect site-selectivity. Alkylation of alkyl-substituted perfluorobenzene avoids α-C–H bonds, unlike their alkylbenzene counterparts, allowing site-selective functionalization of C–H bonds remote to the aromatic ring. Alkylation of alkanes having a perfluoroalkyl group also avoided α-C–H bonds. Radical polar effects in the SH2 transition states could explain this avoidance of α-C–H functionalization.

Synthesis and inhibitory studies of phosphonic acid analogues of homophenylalanine and phenylalanine towards alanyl aminopeptidases

Wanat, Weronika,Talma, Micha?,Dziuk, B?a?ej,Kafarski, Pawe?

, p. 1 - 22 (2020/09/18)

A library of novel phosphonic acid analogues of homophenylalanine and phenylalanine, containing fluorine and bromine atoms in the phenyl ring, have been synthesized. Their inhibitory properties against two important alanine aminopeptidases, of human (hAPN, CD13) and porcine (pAPN) origin, were evaluated. Enzymatic studies and comparison with literature data indicated the higher inhibitory potential of the homophenylalanine over phenylalanine derivatives towards both enzymes. Their inhibition constants were in the submicromolar range for hAPN and the micromolar range for pAPN, with 1-amino-3-(3-fluorophenyl) propylphosphonic acid (compound 15c) being one of the best low-molecular inhibitors of both enzymes. To the best of our knowledge, P1 homophenylalanine analogues are the most active inhibitors of the APN among phosphonic and phosphinic derivatives described in the literature. Therefore, they constitute interesting building blocks for the further design of chemically more complex inhibitors. Based on molecular modeling simulations and SAR (structure-activity relationship) analysis, the optimal architecture of enzyme-inhibitor complexes for hAPN and pAPN were determined.

Carbene-Catalyzed α-Carbon Amination of Chloroaldehydes for Enantioselective Access to Dihydroquinoxaline Derivatives

Huang, Ruoyan,Chen, Xingkuan,Mou, Chengli,Luo, Guoyong,Li, Yongjia,Li, Xiangyang,Xue, Wei,Jin, Zhichao,Chi, Yonggui Robin

supporting information, p. 4340 - 4344 (2019/06/14)

An NHC-catalyzed α-carbon amination of chloroaldehydes was developed. Cyclohexadiene-1,2-diimines are used as amination reagents and four-atom synthons. Our reaction affords optically enriched dihydroquinoxalines that are core structures in natural products and synthetic bioactive molecules.

Salt-Free Strategy for the Insertion of CO2 into C?H Bonds: Catalytic Hydroxymethylation of Alkynes

Wendling, Timo,Risto, Eugen,Krause, Thilo,Goo?en, Lukas J.

supporting information, p. 6019 - 6024 (2018/03/27)

A copper(I) catalyst enables the insertion of carbon dioxide into alkyne C?H bonds by using a suitable organic base with which hydrogenation of the resulting carboxylate salt with regeneration of the base becomes thermodynamically feasible. In the presence of catalytic copper(I) chloride/4,7-diphenyl-1,10-phenanthroline, polymer-bound triphenylphosphine, and 2,2,6,6-tetramethylpiperidine as the base, terminal alkynes undergo carboxylation at 15 bar CO2 and room temperature. After filtration, the ammonium alkynecarboxylate can be hydrogenated to the primary alcohol and water at a rhodium/molybdenum catalyst, regenerating the amine base. This demonstrates the feasibility of a salt-free overall process, in which carbon dioxide serves as a C1 building block in a C?H functionalization.

Remote migratory cross-electrophile coupling and olefin hydroarylation reactions enabled by in situ generation of nih

Chen, Fenglin,Chen, Ke,Zhang, Yao,He, Yuli,Wang, Yi-Ming,Zhu, Shaolin

supporting information, p. 13929 - 13935 (2017/11/07)

A highly efficient strategy for remote reductive cross-electrophile coupling has been developed through the ligand-controlled nickel migration/arylation. This general protocol allows the use of abundant and bench-stable alkyl bromides and aryl bromides for the synthesis of a wide range of structurally diverse 1, 1-diarylalkanes in excellent yields and high regioselectivities under mild conditions. We also demonstrated that alkyl bromide could be replaced by the proposed olefin intermediate while using n-propyl bromide/Mn0 as a potential hydride source.

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