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1-(3-methoxyphenyl)butan-1-one, also known as p-methoxyphenylacetone, is a chemical compound with the molecular formula C11H14O2. It is a pale yellow liquid characterized by a strong, sweet, floral odor. This versatile compound is valued for its aromatic properties and is widely utilized in the synthesis of pharmaceuticals and perfumes. Additionally, it serves as a precursor in the production of methcathinone, a psychoactive drug with stimulant effects.

21550-06-1

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21550-06-1 Usage

Uses

Used in Pharmaceutical Industry:
1-(3-methoxyphenyl)butan-1-one is used as an intermediate compound for the synthesis of various pharmaceuticals due to its unique chemical structure and aromatic properties. Its ability to be incorporated into the development of new drugs makes it a valuable asset in this industry.
Used in Perfumery:
1-(3-methoxyphenyl)butan-1-one is used as a key ingredient in the creation of perfumes for its strong, sweet, and floral odor. Its distinctive scent contributes to the formulation of various fragrances, enhancing the sensory experience of consumers.
Used in the Production of Methcathinone:
1-(3-methoxyphenyl)butan-1-one is used as a precursor in the manufacturing process of methcathinone, a psychoactive drug with stimulant properties. Its role in the synthesis of this drug highlights its versatility and importance in the chemical industry.

Check Digit Verification of cas no

The CAS Registry Mumber 21550-06-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,5,5 and 0 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 21550-06:
(7*2)+(6*1)+(5*5)+(4*5)+(3*0)+(2*0)+(1*6)=71
71 % 10 = 1
So 21550-06-1 is a valid CAS Registry Number.

21550-06-1Relevant academic research and scientific papers

Iridium-Catalyzed Asymmetric Hydrogenation of α-Fluoro Ketones via a Dynamic Kinetic Resolution Strategy

Tan, Xuefeng,Wen, Jialin,Zeng, Weijun,Zhang, Xumu

supporting information, p. 7230 - 7233 (2020/10/02)

The discrimination of a fluorine atom from a hydrogen atom has been challenging in asymmetric catalysis. We herein report iridium-catalyzed hydrogenation of α-fluoro ketones using a strategy of dynamic kinetic resolution. Both enantiomeric and diastereomeric selectivities were satisfactory in the preparation of β-fluoro alcohols. The DFT calculation revealed a C-F···Na charge-dipole interaction in the transition state of hydride transfer. This noncovalent interaction would be responsible for the diastereomeric control.

Acylation of aryl halides and α-bromo acetates with aldehydes enabled by nickel/tbadt cocatalysis

Fan, Pei,Zhang, Chang,Zhang, Linchuan,Wang, Chuan

supporting information, p. 3875 - 3878 (2020/05/14)

In this protocol aryl halides and α-bromo acetates are efficiently cross-coupled with an array of (hetero)aromatic and aliphatic aldehydes under the cooperative catalysis of nickel and tetrabutylammonium decatungstate as a hydrogen-atom-transfer photocatalyst. This method provides a concise approach to a variety of ketones with high compatibility of various functional groups.

Conversion of Aldehydes to Branched or Linear Ketones via Regiodivergent Rhodium-Catalyzed Vinyl Bromide Reductive Coupling-Redox Isomerization Mediated by Formate

Swyka, Robert A.,Shuler, William G.,Spinello, Brian J.,Zhang, Wandi,Lan, Chunling,Krische, Michael J.

supporting information, p. 6864 - 6868 (2019/05/10)

A regiodivergent catalytic method for direct conversion of aldehydes to branched or linear alkyl ketones is described. Rhodium complexes modified by PtBu2Me catalyze formate-mediated aldehyde-vinyl bromide reductive coupling-redox isomerization to form branched ketones. Use of the less strongly coordinating ligand, PPh3, promotes vinyl-to allylrhodium isomerization en route to linear ketones. This method bypasses the 3-step sequence often used to convert aldehydes to ketones involving the addition of pre-metalated reagents to Weinreb or morpholine amides.

Palladium-Catalyzed Carbonylative Coupling of Aryl Iodides with Alkyl Bromides: Efficient Synthesis of Alkyl Aryl Ketones

Peng, Jin-Bao,Chen, Bo,Qi, Xinxin,Ying, Jun,Wu, Xiao-Feng

supporting information, p. 4153 - 4160 (2018/09/21)

Alkyl aryl ketones are important structures with applications in many areas of chemistry. Hence, efficient procedures for their production are particularly attractive. In this communication, a general and efficient carbonylative cross-coupling of aryl iodides and unactivated alkyl bromides is presented. By using a simple palladium catalyst, a series of alkyl aryl ketones were synthesized in moderate to excellent yields from readily available alkyl and aryl halides in an In-Ex tube with formic acid as the CO source. In this study both primary and secondary alkyl bromides/iodides were suitable coupling partners. Additionally, this method can also be employed for the late-stage functionalization of complex natural products and polyfunctionalized molecules. (Figure presented.).

Dirhodium(ii)/P(t-Bu)3 catalyzed tandem reaction of α,β-unsaturated aldehydes with arylboronic acids

Ma, Ziling,Wang, Yuanhua

supporting information, p. 7470 - 7476 (2018/10/24)

Phosphine ligated dirhodium(ii) acetate is advocated as a catalyst for the synthesis of aryl alkyl ketones by the tandem reaction of α,β-unsaturated aromatic or aliphatic aldehydes with arylboronic acids. This tandem procedure included arylation followed by the isomerization reaction. This method exhibits good functional group tolerance and has a broad substrate scope. With the conjugated aldehydes, the one-step synthesis of γ,δ-unsaturated ketones was realized through this reaction. It is noteworthy that the length of the Rh-P bond is an important factor affecting catalytic reactions. The comparative analysis of the crystal structures of axially alkylphosphane and arylphosphane ligated dirhodium(ii) acetate revealed that the shorter Rh-P bond length favors the isomerization process as compared to the longer one. In addition, the dirhodium(ii) compound can be recovered after the completion of the reaction.

CHEMICAL COMPOUNDS

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, (2008/06/13)

The present invention discloses novel compounds with a variety of therapeutic uses. More particularly, the invention discloses novel symmetrical triphenyl compounds that are particularly useful for selective estrogen receptor modulation.

CHEMICAL COMPOUNDS

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Page/Page column 36, (2008/06/13)

The present invention discloses to novel compounds with a variety of therapeutic uses. More particularly, the invention discloses novel symmetrical triphenyl compounds that are particularly useful for selective estrogen receptor modulation.

Regioselective, directed meta acylation of aromatic compounds

Akai, Shuji,Peat, Andrew J.,Buchwald, Stephen L.

, p. 9119 - 9125 (2007/10/03)

A new method for the directed meta acylation of aromatic compounds is described. This method involves an ortho lithiation procedure combined with zirconocene-benzyne chemistry. 3-Acyl-1-substituted benzene derivatives were obtained by acidic hydrolysis of the azazirconacycle intermediate which results from the coupling of a nitrile with a zirconocene-benzyne complex. Similarly, 3-acyl-2-iodo-1-substituted benzene derivatives were obtained by the iodination of the same intermediate followed by acidic hydrolysis. These procedures, which utilize simple, readily available starting materials, give good yields of regiochemically pure products.

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