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N-(3,4-Dimethoxyphenyl)ethanamide is an organic compound that serves as an intermediate in the synthesis of various pharmaceutical compounds. It is characterized by the presence of a 3,4-dimethoxyphenyl group attached to an ethanamide moiety, which contributes to its chemical properties and reactivity.

881-70-9

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881-70-9 Usage

Uses

Used in Pharmaceutical Synthesis:
N-(3,4-Dimethoxyphenyl)ethanamide is used as an intermediate in the synthesis of 5,6-Orthoquinone Primaquine-d6 Hydrobromide (O697512), an isotope-labeled compound of 5,6-Orthoquinone Primaquine (O697510). N-(3,4-dimethoxyphenyl)ethanamide is utilized in the study of the differential pharmacological and toxicological properties of primaquine enantiomers.
Primaquine is the only approved drug for the treatment and radical cure of Plasmodium vivax malaria, a parasitic disease caused by the Plasmodium vivax species. The study of its enantiomers helps in understanding the differences in their biological activities and potential side effects, which can lead to the development of safer and more effective treatments for malaria.

Synthesis Reference(s)

The Journal of Organic Chemistry, 59, p. 5814, 1994 DOI: 10.1021/jo00098a050

Check Digit Verification of cas no

The CAS Registry Mumber 881-70-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,8 and 1 respectively; the second part has 2 digits, 7 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 881-70:
(5*8)+(4*8)+(3*1)+(2*7)+(1*0)=89
89 % 10 = 9
So 881-70-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H13NO3/c1-7(12)11-8-4-5-9(13-2)10(6-8)14-3/h4-6H,1-3H3,(H,11,12)

881-70-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name N-(3,4-dimethoxyphenyl)acetamide

1.2 Other means of identification

Product number -
Other names Essigsaeure-(3,4-dimethoxy-anilid)

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:881-70-9 SDS

881-70-9Relevant academic research and scientific papers

Zinc(II)-Catalyzed Synthesis of Secondary Amides from Ketones via Beckmann Rearrangement Using Hydroxylamine-O-sulfonic Acid in Aqueous Media

Verma, Saumya,Kumar, Puneet,Khatana, Anil K.,Chandra, Dinesh,Yadav, Ajay K.,Tiwari, Bhoopendra,Jat, Jawahar L.

, p. 3272 - 3276 (2020/11/02)

A zinc(II)-catalyzed single-step protocol for the Beckmann rearrangement using hydroxylamine-O-sulfonic acid (HOSA) as the nitrogen source in water was developed. This direct method efficiently produces secondary amides under open atmosphere in a pure form after basic aqueous workup. It isenvironmentally benign and operationally simple.

Direct synthesis of secondary amides from ketones through Beckmann rearrangement using O-(mesitylsulfonyl)hydroxylamine

Chandra, Dinesh,Verma, Saumya,Pandey, Chandra Bhan,Yadav, Ajay K.,Kumar, Puneet,Tiwari, Bhoopendra,Jat, Jawahar L.

supporting information, (2020/03/23)

The Beckmann rearrangement is a versatile method for the preparation of secondary amides from ketones via oxime intermediates and has been widely used in the synthesis of bioactive natural products and pharmaceuticals. Herein, we have developed a highly efficient direct method for the preparation of secondary amides and lactams from ketones using O-(mesitylsulfonyl)hydroxylamine (MSH). The reactions proceed rapidly at room temperature under mild condition without requiring any additive, and tolerate multiple functional groups. A simple aqueous work-up often furnished the products in excellent yield with high purity.

General rhodium-catalyzed oxidative cross-coupling reactions between anilines: Synthesis of unsymmetrical 2,2′-diaminobiaryls

Shi, Yang,Liu, Jiahui,Yang, Yudong,You, Jingsong

supporting information, p. 5475 - 5478 (2019/05/16)

Described herein is a dual chelation-assisted RhCl3-catalyzed oxidative C-H/C-H cross-coupling reaction of aniline derivatives. The highlight of this methodology is the chemo- and regioselective cross-coupling between electronically similar substrates, which represents a highly challenging task in oxidative Ar-H/Ar-H cross-coupling reactions. Furthermore, this Cp?-free catalytic reaction tolerates a range of functional groups and requires only a low molar ratio of coupling partners. These features expedite the synthesis of unsymmetrical 2,2′-diaminobiaryls.

Cu(OTf) 2 -Catalyzed Beckmann Rearrangement of Ketones Using Hydroxylamine- O -sulfonic Acid (HOSA)

Anugu, Raghunath Reddy,Chandra, Dinesh,Falck, John R.,Jat, Jawahar L.,Munnuri, Sailu,Verma, Saumya

, p. 3709 - 3714 (2019/09/30)

The Beckmann rearrangement (BKR) of ketones to secondary amides often requires harsh reaction conditions that limit its practicality and scope. Herein, the Cu(OTf) 2 -catalyzed BKR of ketones under mild reaction conditions using hydroxylamine- O -sulfonic acid (HOSA), a commercial water soluble aminating agent, is described. This method is compatible with most functional groups and directly provides the desired amides in good to excellent yields.

SO2F2-Activated Efficient Beckmann Rearrangement of Ketoximes for Accessing Amides and Lactams

Zhang, Guofu,Zhao, Yiyong,Xuan, Lidi,Ding, Chengrong

, p. 4911 - 4915 (2019/07/31)

A novel, mild and practical protocol for the efficient activation of the Beckmann rearrangement utilizing the readily available and economical sulfuryl fluoride (SO2F2 gas) has been developed. The substrate scope of the operationally simple methodology has been demonstrated by 37 examples with good to nearly quantitative isolated yields (over 90 % yield in most cases) in a short time, including B(OH)2, COOH, NH2, and OH substituted substrates. A tentative mechanism was proposed involving formation and elimination of key intermediate, sulfonyl ester.

PtCl4-catalyzed cyclization of N-acetyl-2-alkynylanilines: A mild and efficient synthesis of N-acetyl-2-substituted indoles

Chaisan, Nattawadee,Kaewsri, Wilailak,Thongsornkleeb, Charnsak,Tummatorn, Jumreang,Ruchirawat, Somsak

supporting information, p. 675 - 680 (2018/01/18)

An efficient synthesis of N-acetyl-2-substituted indole derivatives via direct intramolecular hydroamination of N-acetyl-2-alkynylaniline derivatives was developed. The reaction could be applied to a wide range of substrates employing only 1–2 mol% of PtCl4 as the catalyst to furnish the desired indole products in moderate to excellent yields. The current protocol is efficient, reliable and scalable, and could serve as an important tool for convenient and rapid access to this important class of N-heterocyclic skeleton from readily available substrates.

Selective, Catalytic, and Metal-Free Coupling of Electron-Rich Phenols and Anilides Using Molecular Oxygen as Terminal Oxidant

Bering, Luis,Vogt, Melina,Paulussen, Felix M.,Antonchick, Andrey P.

supporting information, p. 4077 - 4080 (2018/07/15)

Selective oxidative homo- and cross-coupling of electron-rich phenols and anilides was developed using nitrosonium tetrafluoroborate as a catalyst. Oxidative coupling of phenols revealed unusual selectivities, which translated into the unprecedented synthesis of inverse Pummerer-type ketones. Mechanistic studies suggest that oxidative coupling of phenols and anilides shares a common pathway via homolytical heteroatom-hydrogen bond cleavage. Nitrosonium salt catalysis was applied for cross-dehydrogenative coupling initiated by generation of heteroatom-centered radicals.

Aerobic oxidative homocoupling reaction of anilides using heterogeneous metal catalysts

Fujimoto, Shigenobu,Matsumoto, Kenji,Iwata, Takayuki,Shindo, Mitsuru

supporting information, p. 973 - 976 (2017/02/15)

We have developed a heterogeneous catalytic oxidative homocoupling reaction of dimethoxyanilides under an oxygen atmosphere. The resulting homo-dimers are useful for the construction of heterocycles, demonstrating the potential of heterogeneous metal catalysts.

Photo-Fries rearrangement of aryl acetamides: Regioselectivity induced by the aqueous micellar green environment

Iguchi, Daniela,Erra-Balsells, Rosa,Bonesi, Sergio M.

, p. 105 - 116 (2016/01/20)

Photochemical reactions tend to give more than one photoproduct. However, such a reaction can be a powerful synthetic tool when it is possible to conduct it in regioselective conditions yielding a single photoproduct. Water-surfactant solutions as reaction media can be considered as an approach in this context because they show products with different features than those from isotropic solutions. Here we describe results obtained from studying the effect on the prototypical photoreaction, known as the photo-Fries reaction of several substituted acetanilides and α-naphthyl acetamide within surfactant micelles (ionic and non-ionic micelles). This reaction involves homolytic cleavage of a C-N bond to yield a singlet radical pair. The surfactant micelles control the rotational and translational mobility of the radical pair, resulting in noticeable photoproduct selectivity.

AIBN-promoted amidation of anilines with 1, 3-diketones via oxidative cleavage of C–C bond under aerobic conditions

Rao, Sadu Nageswara,Mohan, Darapaneni Chandra,Adimurthy, Subbarayappa

, p. 4889 - 4894 (2016/07/18)

N-Acylation of anilines with 1, 3-diketones promoted by AIBN (2-2′-azoisobutyronitrile) under metal-free and peroxide-free conditions in the presence of molecular oxygen as oxidant has been described. This protocol proceeds by the oxidative cleavage of C–C bond with simultaneous intermolecular C–N bond formation under mild conditions.

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