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3',5'-Difluoroacetophenone, also known as 1-(3,5-difluorophenyl)ethanone, is a fluorinated acetophenone characterized by its white to light yellow crystal powder form.

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  • 123577-99-1 Structure
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    1. Product Name: 3',5'-Difluoroacetophenone
    2. Synonyms: 3′,5′-Difluoroacetophenone,97%;1-(3,5-difluorophenyl)ethan-1-one;3, 5 - two fluorine acetophenone;1-(3,5-Difluorophenyl)ethanone;3',5'-DIFLUOROACETOPHENONE;3,5-DIFLUOROACETOPHENONE;Ethanone, 1-(3,5-difluorophenyl)- (9CI);3',5'-Difluoroacetophenone 98%
    3. CAS NO:123577-99-1
    4. Molecular Formula: C8H6F2O
    5. Molecular Weight: 156.13
    6. EINECS: -0
    7. Product Categories: C7 to C8;Carbonyl Compounds;Ketones;Aryl Fluorinated Building Blocks;Building Blocks;C7 to C8;C7-C8;Carbonyl Compounds;Chemical Synthesis;Fluorinated Building Blocks;Organic Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks;Fluorine series;Other fluorin-contained compounds;ACETYLGROUP;Aromatic Acetophenones & Derivatives (substituted);ketone;Miscellaneous
    8. Mol File: 123577-99-1.mol
  • Chemical Properties

    1. Melting Point: 34-38 °C(lit.)
    2. Boiling Point: 94 °C
    3. Flash Point: 180 °F
    4. Appearance: White to slightly yellow/Low Melting Solid
    5. Density: 1.206 g/cm3
    6. Vapor Pressure: 0.533mmHg at 25°C
    7. Refractive Index: 1.4876
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. BRN: 6798740
    11. CAS DataBase Reference: 3',5'-Difluoroacetophenone(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3',5'-Difluoroacetophenone(123577-99-1)
    13. EPA Substance Registry System: 3',5'-Difluoroacetophenone(123577-99-1)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38-R36/37/38-36-26
    3. Safety Statements: 26-36-S36-S26-36/37/38
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 123577-99-1(Hazardous Substances Data)

123577-99-1 Usage

Uses

Used in Pharmaceutical Synthesis:
3',5'-Difluoroacetophenone is used as a key intermediate in the synthesis of various pharmaceutical compounds for their potential therapeutic applications.
Used in Organic Chemistry:
3',5'-Difluoroacetophenone is used as a reagent in organic chemistry for the preparation of various organic compounds, including:
1. (E)-3-(4-(1,5,9-trithia-13-azacyclohexadecan-13-yl)-phenyl)-1-(3,5-difluorophenyl)prop-2-en-1-one: 3',5'-Difluoroacetophenone is synthesized using 3',5'-Difluoroacetophenone as a starting material, which may have potential applications in medicinal chemistry or as a functional organic molecule.
2. 1,3,5-triarylpyrazoline fluorophores containing a 16-membered thiazacrown ligand: These fluorophores are synthesized using 3',5'-Difluoroacetophenone, and they can be utilized in the development of fluorescent probes or sensors.
3. (±)-fluorinated-1-(3-morpholin-4-yl-phenyl)ethylamine: This fluorinated amine derivative is synthesized using 3',5'-Difluoroacetophenone, which may have potential applications in the synthesis of pharmaceuticals or agrochemicals.
4. (E)-1-(3,5-difluorophenyl)-3-(2,4-dimethoxyphenyl) prop-2-en-1-one: 3',5'-Difluoroacetophenone is synthesized using 3',5'-Difluoroacetophenone and can be used as a building block in the synthesis of more complex organic molecules.
5. 1-(3,5-difluorophenyl)-4,4,4-trifluorobutane-1,3-dione: 3',5'-Difluoroacetophenone is synthesized using 3',5'-Difluoroacetophenone and can be used as a precursor for the synthesis of various organic compounds with potential applications in different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 123577-99-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,3,5,7 and 7 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 123577-99:
(8*1)+(7*2)+(6*3)+(5*5)+(4*7)+(3*7)+(2*9)+(1*9)=141
141 % 10 = 1
So 123577-99-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H6F2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3

123577-99-1 Well-known Company Product Price

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  • Alfa Aesar

  • (B20301)  3',5'-Difluoroacetophenone, 97%   

  • 123577-99-1

  • 1g

  • 721.0CNY

  • Detail
  • Alfa Aesar

  • (B20301)  3',5'-Difluoroacetophenone, 97%   

  • 123577-99-1

  • 5g

  • 2076.0CNY

  • Detail
  • Alfa Aesar

  • (B20301)  3',5'-Difluoroacetophenone, 97%   

  • 123577-99-1

  • 25g

  • 7934.0CNY

  • Detail

123577-99-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3',5'-Difluoroacetophenone

1.2 Other means of identification

Product number -
Other names 3′,5′-Difluoroacetophenone

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:123577-99-1 SDS

123577-99-1Relevant articles and documents

An efficient approach for enhancing the catalytic activity of Ni-MOF-74: Via a relay catalyst system for the selective oxidation of benzylic C-H bonds under mild conditions

Guo, Changyan,Zhang, Yonghong,Zhang, Yi,Wang, Jide

supporting information, p. 3701 - 3704 (2018/04/17)

Although nickel-based materials exhibit similar catalytic activity to palladium in organic synthesis, the selective oxidation of inert C-H bonds in the absence of other co-catalysts remains a largely unsolved challenge. This paper introduces a facile and efficient approach for enhancing the catalytic activity of Ni-MOF-74 with [bmim]Br via a relay catalysis strategy, which is excellent for the selective oxidation of benzylic C-H bonds. Notably, the catalyst recycling and scale up experiments demonstrated the practicability of the protocol. This method combines the catalytic advantages of MOFs and ionic liquids (ILs), and provides an insight into oxidation reactions by cheap and efficient Ni-based catalysts.

A selective, efficient and environmentally friendly method for the oxidative cleavage of glycols

García, Nuria,Rubio-Presa, Rubén,García-García, Patricia,Fernández-Rodríguez, Manuel A.,Pedrosa, María R.,Arnáiz, Francisco J.,Sanz, Roberto

, p. 2335 - 2340 (2016/05/19)

A catalytic methodology for the oxidative cleavage of vicinal diols is described as an advantageous alternative in terms of the environmental impact on classical methods involving toxic oxidants. The novel strategy is based on the use of dioxomolybdenum(vi) complexes as catalysts and dimethyl sulfoxide (DMSO) as an oxidant and displays high selectivity and a broad scope for glycol cleavage. In addition, the developed system is also useful for the oxidation of acyloins to diketones.

THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS

-

Paragraph 1098; 1099, (2014/07/23)

The present disclosure describes thiazole and pyridine carboxamide derivatives, their compositions and methods of use. The compounds inhibit the activity of the Pim kinases and are useful in the treatment of diseases related to the activity of Pim kinases including, e.g., cancer and other diseases.

Practical asymmetric synthesis of a chiral piperazinone derivative

McLaughlin, Mark,Belyk, Kevin,Chen, Cheng-Yi,Linghu, Xin,Pan, Jun,Qian, Gang,Reamer, Robert A.,Xu, Yingju

, p. 1052 - 1060 (2013/09/12)

A practical asymmetric route to a chiral piperazinone derivative, a fragment of MK-3207, is reported. The amine-bearing benzylic stereocenter is introduced via an asymmetric Pd-catalyzed hydrogenation of a cyclic sulfimidate in the presence of a chiral phosphine ligand. An efficient synthesis of the hydrogenation substrate is described, together with process development of the hydrogenation step and elaboration of the resulting cyclic sulfamate product to the desired piperazinone.

One-pot one-step deracemization of amines using ω-transaminases

Shin, Giyoung,Mathew, Sam,Shon, Minsu,Kim, Byung-Gee,Yun, Hyungdon

, p. 8629 - 8631 (2013/09/23)

In this study, we developed a one-pot one-step deracemization method for the production of various enantiomerically pure amines using two opposite enantioselective ω-TAs. Using this method, various aromatic amines were successfully converted to their (R)-forms (>99%) with good conversion.

Electrophilicities of symmetrically substituted 1,3-diarylallyl cations

Troshin, Konstantin,Schindele, Claus,Mayr, Herbert

experimental part, p. 9391 - 9408 (2012/01/06)

Kinetics of the reactions of nine symmetrically substituted 1,3-diarylallyl cations with different nucleophiles were studied photometrically in dichloromethane, acetonitrile, and DMSO solutions. The second-order rate constants k2 were found to follow the correlation log k2 = sN(N + E). The electrophilicity parameters E of the title cations were derived, using the known values of sN and N of the nucleophilic reaction partners, and compared with the electrophilicities of analogously substituted benzhydrylium ions. Good linear correlations were found between the electrophilicities E and the quantum chemically calculated gas-phase methyl anion affinities of the allyl cations and the σ+ constants of the substituents X.

Bisphosphonic acid derivatives as anti-arthritic agents

-

, (2008/06/13)

The bisphosphonates of formula (III) bicyclic bisphosphonates (V), and cyclic bisphosphonates (VII) are useful as anti-arthritic agents and do not have the side effects of anti-arthritic agents which are prostaglandin synthetase inhibitors.

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