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3-Methoxybenzoyl chloride, also known as m-anisoylo chloride, is an organic compound with the chemical formula C8H7ClO3. It is a clear, colorless to light yellow liquid and is commonly used as a reagent in the synthesis of various organic compounds.

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  • 1711-05-3 Structure
  • Basic information

    1. Product Name: 3-METHOXYBENZOYL CHLORIDE
    2. Synonyms: M-ANISOYL CHLORIDE;M-ANISIC ACID CHLORIDE;3-ANISOYL CHLORIDE;3-METHOXYBENZOYL CHLORIDE;AKOS BBS-00003914;M-METHOXYBENZOYL CHLORIDE;Benzoyl chloride, m-methoxy-;3-Methoxybenzol chloride
    3. CAS NO:1711-05-3
    4. Molecular Formula: C8H7ClO2
    5. Molecular Weight: 170.59
    6. EINECS: 216-975-2
    7. Product Categories: Aromatic Halides (substituted)
    8. Mol File: 1711-05-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 123-125 °C15 mm Hg(lit.)
    3. Flash Point: 198 °F
    4. Appearance: Clear colorless to light yellow/Liquid
    5. Density: 1.214 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 0.0308mmHg at 25°C
    7. Refractive Index: n20/D 1.558(lit.)
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
    10. Water Solubility: Soluble in chloroform. Reacts with water.
    11. Sensitive: Moisture Sensitive
    12. BRN: 386659
    13. CAS DataBase Reference: 3-METHOXYBENZOYL CHLORIDE(CAS DataBase Reference)
    14. NIST Chemistry Reference: 3-METHOXYBENZOYL CHLORIDE(1711-05-3)
    15. EPA Substance Registry System: 3-METHOXYBENZOYL CHLORIDE(1711-05-3)
  • Safety Data

    1. Hazard Codes: C
    2. Statements: 34-36/37
    3. Safety Statements: 26-36/37/39-45
    4. RIDADR: UN 1729 8/PG 2
    5. WGK Germany: 3
    6. RTECS:
    7. F: 10-19-21
    8. HazardClass: 8
    9. PackingGroup: II
    10. Hazardous Substances Data: 1711-05-3(Hazardous Substances Data)

1711-05-3 Usage

Uses

Used in Pharmaceutical Industry:
3-Methoxybenzoyl chloride is used as a synthetic intermediate for the development of 2-arylbenzofuran-based molecules, which have potential applications in treating Alzheimer's disease by combating its symptoms. Its role in the synthesis process is crucial for creating these therapeutic compounds.
Used in Oncology Research:
In the field of oncology, 3-methoxybenzoyl chloride is utilized as a key component in the optimization of dihydropyrrolopyrimidine inhibitors targeting phosphoinositide 3-kinase (PI3K). These inhibitors play a significant role in tumor growth inhibition, making them an essential tool in cancer research and drug development.
Overall, 3-methoxybenzoyl chloride is a versatile compound with applications in both the pharmaceutical industry for Alzheimer's treatment and in oncology research for the development of cancer-fighting drugs. Its chemical properties as a clear, colorless to light yellow liquid make it a suitable reagent for various synthesis processes.

Check Digit Verification of cas no

The CAS Registry Mumber 1711-05-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,7,1 and 1 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 1711-05:
(6*1)+(5*7)+(4*1)+(3*1)+(2*0)+(1*5)=53
53 % 10 = 3
So 1711-05-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H7ClO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3

1711-05-3 Well-known Company Product Price

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  • (Code)Product description
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  • Alfa Aesar

  • (B23571)  3-Methoxybenzoyl chloride, 99%   

  • 1711-05-3

  • 10g

  • 441.0CNY

  • Detail
  • Alfa Aesar

  • (B23571)  3-Methoxybenzoyl chloride, 99%   

  • 1711-05-3

  • 50g

  • 1340.0CNY

  • Detail
  • Alfa Aesar

  • (B23571)  3-Methoxybenzoyl chloride, 99%   

  • 1711-05-3

  • 250g

  • 6046.0CNY

  • Detail
  • Aldrich

  • (230243)  3-Methoxybenzoylchloride  99%

  • 1711-05-3

  • 230243-5G

  • 360.36CNY

  • Detail
  • Aldrich

  • (230243)  3-Methoxybenzoylchloride  99%

  • 1711-05-3

  • 230243-25G

  • 995.67CNY

  • Detail
  • Aldrich

  • (230243)  3-Methoxybenzoylchloride  99%

  • 1711-05-3

  • 230243-100G

  • 3,334.50CNY

  • Detail

1711-05-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name m-Anisoyl chloride

1.2 Other means of identification

Product number -
Other names 3-Methoxybenzoyl chloride

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:1711-05-3 SDS

1711-05-3Relevant articles and documents

Identification of anthranilamide derivatives as potential factor Xa inhibitors: Drug design, synthesis and biological evaluation

Xing, Junhao,Yang, Lingyun,Li, Hui,Li, Qing,Zhao, Leilei,Wang, Xinning,Zhang, Yuan,Zhou, Muxing,Zhou, Jinpei,Zhang, Huibin

, p. 388 - 399 (2015)

The coagulation enzyme factor Xa (fXa) plays a crucial role in the blood coagulation cascade. In this study, three-dimensional fragment based drug design (FBDD) combined with structure-based pharmacophore (SBP) model and structural consensus docking were employed to identify novel fXa inhibitors. After a multi-stage virtual screening (VS) workflow, two hit compounds 3780 and 319 having persistent high performance were identified. Then, these two hit compounds and several analogs were synthesized and screened for in-vitro inhibition of fXa. The experimental data showed that most of the designed compounds displayed significant in vitro potency against fXa. Among them, compound 9b displayed the greatest in vitro potency against fXa with the IC50 value of 23 nM and excellent selectivity versus thrombin (IC50 Combining double low line 40 μM). Moreover, the prolongation of the prothrombin time (PT) was measured for compound 9b to evaluate its in vitro anticoagulant activity. As a result, compound 9b exhibited pronounced anticoagulant activity with the 2 × PT value of 8.7 μM.

Platelet antiaggregant methoxyphenylthienyl ketoxime ethers: Synthesis and structure-activity relationships

Varache-Lembege,Nuhrich,Renard,Duboudin,Vercauteren,Devaux

, p. 417 - 424 (1995)

Some new oximinoalkanoic (n = 2,3,4) esters and acids derived from methoxyphenylthienyl ketones have been synthesized and evaluated in vitro for their inhibitory effects on arachidonic acid-induced human platelet aggregation. Of the eighteen oximinoethers

Remarkably Efficient Iridium Catalysts for Directed C(sp2)-H and C(sp3)-H Borylation of Diverse Classes of Substrates

Chattopadhyay, Buddhadeb,Hassan, Mirja Md Mahamudul,Hoque, Md Emdadul

supporting information, p. 5022 - 5037 (2021/05/04)

Here we describe the discovery of a new class of C-H borylation catalysts and their use for regioselective C-H borylation of aromatic, heteroaromatic, and aliphatic systems. The new catalysts have Ir-C(thienyl) or Ir-C(furyl) anionic ligands instead of the diamine-type neutral chelating ligands used in the standard C-H borylation conditions. It is reported that the employment of these newly discovered catalysts show excellent reactivity and ortho-selectivity for diverse classes of aromatic substrates with high isolated yields. Moreover, the catalysts proved to be efficient for a wide number of aliphatic substrates for selective C(sp3)-H bond borylations. Heterocyclic molecules are selectively borylated using the inherently elevated reactivity of the C-H bonds. A number of late-stage C-H functionalization have been described using the same catalysts. Furthermore, we show that one of the catalysts could be used even in open air for the C(sp2)-H and C(sp3)-H borylations enabling the method more general. Preliminary mechanistic studies suggest that the active catalytic intermediate is the Ir(bis)boryl complex, and the attached ligand acts as bidentate ligand. Collectively, this study underlines the discovery of new class of C-H borylation catalysts that should find wide application in the context of C-H functionalization chemistry.

Tumor diagnosis and treatment fluorescent probe for targeting tumor Wolburg effect

-

, (2020/11/02)

The invention discloses a tumor diagnosis and treatment fluorescent probe for targeting tumor Warburg effect, and the structure of the fluorescent probe is shown as a formula (I). The fluorescent probe can be directly used in a cell line to analyze and detect the expression degree of tumor cell GLUT1 protein, so as to complete the screening of tumor cells. Meanwhile, tumor cell proliferation is inhibited by directly blocking the GLUT1 channel to inhibit intake of sugar nutritional ingredients by tumors. And an effective means and a useful tool are provided for early screening and diagnosis oftumors, development of new anti-tumor drugs and the like.

Optimization of a 1,3,4-oxadiazole series for inhibition of Ca2+/calmodulin-stimulated activity of adenylyl cyclases 1 and 8 for the treatment of chronic pain

Kaur, Jatinder,Soto-Velasquez, Monica,Ding, Zhong,Ghanbarpour, Ahmadreza,Lill, Markus A.,van Rijn, Richard M.,Watts, Val J.,Flaherty, Daniel P.

, p. 568 - 585 (2018/11/26)

Adenylyl cyclases type 1 (AC1) and 8 (AC8) are group 1 transmembrane adenylyl cyclases (AC) that are stimulated by Ca2+/calmodulin. Studies have shown that mice depleted of AC1 have attenuated inflammatory pain response, while AC1/AC8 double-knockout mice display both attenuated pain response and opioid dependence. Thus, AC1 has emerged as a promising new target for treating chronic pain and opioid abuse. We discovered that the 1,3,4-oxadiazole scaffold inhibits Ca2+/calmodulin-stimulated cyclic adenosine 3‘,5‘-monophosphate (cAMP) production in cells stably expressing either AC1 or AC8. We then carried out structure-activity relationship studies, in which we designed and synthesized 65 analogs, to modulate potency and selectivity versus each AC isoform in cells. Furthermore, molecular docking of the analogs into an AC1 homology model suggests the molecules may bind at the ATP binding site. Finally, a prioritized analog was tested in a mouse model of inflammatory pain and exhibited modest analgesic properties. In summary, our data indicate the 1,3,4-oxadiazoles represent a novel scaffold for the cellular inhibition of Ca2+/calmodulin-stimulated AC1- and AC8 cAMP and warrant further exploration as potential lead compounds for the treatment of chronic inflammatory pain.

Probing the effects of the number and positions of –OCH3 and –CN substituents on color tuning of Ir(III) complex derivatives through a joint computational and experimental study

Qin, Xiao,Li, Ming,Xiang, Minghui,Luo, Yi,Jiao, Yan,Yuan, Rongao,Wang, Ning,Lu, Zhiyun,Pu, Xumei

, p. 470 - 481 (2019/06/03)

We performed a joint theoretical and experimental study on sixteen Ir(III) complexes bearing a similar molecular platform of bis(2-phenylbenzothiozolato-N,C2’) iridium(III) (acetylacetonate) by grafting – OCH3 group and/or – CN group on different positions of the C-related arene moiety of the C^N ligand (Cring). Our results reveal that the introduction of – CN renders an overall drop in the FMO energy levels while a reverse increase is observed for – OCH3. The ortho- and para-sites of the C-ring are more effective substitution positions to modulate the HOMO energy level due to the fact that the electronic density of HOMO mainly locates at them while the meta-site would induce a stronger impact on LUMO since the electronic density of LUMO mainly distributes over the position. Utilizing the synergistic effects of the substituents and the substituted positions, a wide color-tuning range from 479 nm to 637 nm was achieved, which covers nearly the whole window of visible spectrum. In particular, the tri-substituted Ir35mo4cn complex (λemmax=637 nm) may be a potential candidate for high efficiency red OLEDs materials due to its greatly enhanced absorption processes, relatively higher3MLCT (%), lower ΔES1–T1, enlarged separation between3MLCT/π–π* and3MC d–d states, and good hole and particle-transporting performances. Finally, six representative complexes were synthesized and their spectra were determined, which confirm the reliability of our computational strategy.

Preparation method of 3-methoxybenzoyl chloride

-

Paragraph 0007-0010, (2018/12/03)

The invention discloses a preparation method of 3-methoxybenzoyl chloride and belongs to the technical field of medicine techniques. The technical problem to be solved by the invention is to relate toa more advanced preparation method of 3-methoxybenzoyl

CoIII-Catalyzed Isonitrile Insertion/Acyl Group Migration Between C?H and N?H bonds of Arylamides

Kalsi, Deepti,Barsu, Nagaraju,Sundararaju, Basker

supporting information, p. 2360 - 2364 (2018/02/22)

A general efficient and site-selective cobalt-catalyzed insertion of isonitrile into C?H and N?H bonds of arylamides through C?H bond activation and alcohol assisted intramolecular trans-amidation is demonstrated. This straightforward approach overcomes the limitation by the presence of strongly chelating groups. Isolation of CoIII-isonitrile complex B has been achieved for the first time to understand the reaction mechanism.

A General Cp*CoIII-Catalyzed Intramolecular C?H Activation Approach for the Efficient Total Syntheses of Aromathecin, Protoberberine, and Tylophora Alkaloids

Lerchen, Andreas,Knecht, Tobias,Koy, Maximilian,Daniliuc, Constantin G.,Glorius, Frank

supporting information, p. 12149 - 12152 (2017/09/13)

Herein, we report a Cp*CoIII-catalyzed C?H activation approach as the key step to create highly valuable isoquinolones and pyridones as building blocks that can readily be applied in the total syntheses of a variety of aromathecin, protoberberine, and tylophora alkaloids. This particular C?H activation/annulation reaction was achieved with several terminal as well as internal alkyne coupling partners delivering a broad scope with excellent functional group tolerance. The synthetic applicability of this protocol reported herein was demonstrated in the total syntheses of two Topo-I-Inhibitors and two 8-oxyprotoberberine cores that can be further elaborated into the tetrahydroprotoberberine and the protoberberine alkaloid core. Moreover these building blocks were also transformed to six different tylophora alkaloids in expedient fashion.

Selective mono-alkylation of N-methoxybenzamides

Chen, Zenghua,Hu, Le'an,Zeng, Fanyun,Zhu, Ranran,Zheng, Shasha,Yu, Qingzhen,Huang, Jianhui

supporting information, p. 4258 - 4261 (2017/04/21)

We report our latest discovery of norbornene derivative modulated highly mono-selective ortho-C-H activation alkylation reactions on arenes bearing simple mono-dentate coordinating groups. The reaction features the use of readily available benzamides and alkyl halides. During the study, we prepared 30 mono-alkylated aryl amides in good yields with good mono-selectivity. We have also demonstrated that structurally rigid alkenes such as norbornene and its derivatives are a good class of ligand and could be used for future direct C-H functionalizations. The utilization of norbornene type ligands for assistance in C-H activation processes has opened a new window for future molecular design using direct C-H functionalization strategies.

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