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Methyl 2-iodo-5-methylbenzoate is a chemical compound with the molecular formula C9H9IO2. It is a methyl ester of 2-iodo-5-methylbenzoic acid, characterized by its white to off-white crystalline solid appearance. Methyl 2-iodo-5-methylbenzoate is insoluble in water but readily soluble in organic solvents, making it a versatile component in various chemical processes.

103440-52-4

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103440-52-4 Usage

Uses

Used in Organic Synthesis:
Methyl 2-iodo-5-methylbenzoate is used as an intermediate in organic synthesis for the production of a wide range of organic compounds. Its reactivity and structural features make it a valuable building block in the synthesis of complex organic molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, Methyl 2-iodo-5-methylbenzoate is utilized as a key intermediate in the development of various pharmaceuticals. Its unique chemical properties allow it to be incorporated into the structures of potential drug candidates, contributing to their therapeutic effects.
Used in Agrochemical Production:
Methyl 2-iodo-5-methylbenzoate also finds application in the agrochemical sector, where it serves as an intermediate in the synthesis of agrochemicals. Its use in this industry aids in the development of effective products for agricultural applications.
Used in the Development of New Materials:
Methyl 2-iodo-5-methylbenzoate has potential applications in the development of new materials, where its chemical properties can be leveraged to create innovative substances with unique characteristics.
Used in Chemical Processes:
Methyl 2-iodo-5-methylbenzoate is utilized in various chemical processes, including esterification and other reactions, to produce a diverse array of chemical products that serve different industries and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 103440-52-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,3,4,4 and 0 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 103440-52:
(8*1)+(7*0)+(6*3)+(5*4)+(4*4)+(3*0)+(2*5)+(1*2)=74
74 % 10 = 4
So 103440-52-4 is a valid CAS Registry Number.
InChI:InChI=1/C9H9IO2/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5H,1-2H3

103440-52-4 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (H33853)  Methyl 2-iodo-5-methylbenzoate, 95%   

  • 103440-52-4

  • 1g

  • 363.0CNY

  • Detail
  • Alfa Aesar

  • (H33853)  Methyl 2-iodo-5-methylbenzoate, 95%   

  • 103440-52-4

  • 5g

  • 1272.0CNY

  • Detail
  • Aldrich

  • (739766)  Methyl 2-iodo-5-methylbenzoate  95%

  • 103440-52-4

  • 739766-1G

  • 345.15CNY

  • Detail

103440-52-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Iodo-5-methylbenzoic acid methyl ester

1.2 Other means of identification

Product number -
Other names methyl 2-iodo-5-methylbenzoate

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:103440-52-4 SDS

103440-52-4Relevant academic research and scientific papers

Mechanochemical-Cascaded C-N Cross-Coupling and Halogenation Using N-Bromo- And N-Chlorosuccinimide as Bifunctional Reagents

Bera, Shyamal Kanti,Mal, Prasenjit

, p. 14144 - 14159 (2021)

Exploration of alternative energy sources for chemical transformations has gained significant interest from chemists, and mechanochemistry is one of those sources. Herein, we report the use of N-bromosuccinimides (NBS) and N-chlorosuccinimides (NCS) as bifunctional reagents for a cascaded C-N bond formation and subsequent halogenation reactions. Under the solvent-free mechanochemical (ball-milling) conditions, the synthesis of a wide range of phenanthridinone derivatives from N-methoxy-[1,1′-biphenyl]-2-carboxamides is accomplished. During the reactions, NBS and NCS first assisted the oxidative C-N coupling reaction and subsequently promoted a halogenation reaction. Thus, the role of NBS and NCS was established to be bifunctional. Overall, a mild, solvent-free, convenient, one-pot, and direct synthesis of various bromo- and chloro-substituted phenanthridinone derivatives was achieved.

Immobilized Iodosobenzoate Catalysts for the Cleavage of Reactive Phosphates

Moss, Robert A.,Chung, Yong-Chan

, p. 2064 - 2069 (1990)

Titanium dioxide and nylon covalently supported iodosobenzoate reagents 11 and 19 have been prepared by the procedures outlined in Schemes I and II.Both 11 and 19 are good catalysts for the cleavage of p-nitrophenyl diphenyl phosphate (PNPDPP) under heter

Method for preparing iodo-benzoic acid (ester) by improving moral Michael reaction

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Paragraph 0024; 0041-0042, (2021/11/03)

The invention discloses a method for preparing iodo-benzoic acid (ester) by improving a moral reaction, and belongs to the technical field of organic synthesis. The method comprises the following steps: preparing and separating the diazonium tetrafluoroborate through diazotization of aminobenzoic acid (ester) and then performing iodination reaction with the iodinated reagent in an organic medium to obtain the corresponding iodo carboxylic acid (ester). The iodo-benzoic acid (ester) prepared by the method has high purity. The method has the advantages of good quality and simple post-treatment, and the product yield reaches 70 - 90%.

BORON-CONTAINING PHARMACOPHORE

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Paragraph 0207; 0209, (2021/01/29)

Provided herein are boron-containing compounds, pharmaceutical compositions comprising such compounds, and methods of using such compounds to treat diseases or disorders.

Crystal form of orexin receptor antagonist compound, and preparation method and application thereof

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Page/Page column 13; 19-20, (2020/06/26)

Disclosed are a preparation method of an orexin receptor antagonist compound 5-3, Crystalline forms I-IV of an orexin receptor antagonist compound 5-3 are provided. Also provided are processes of the preparing the orexin receptor antagonist compound 5-3 a

QUINAZOLINE-2,4-DIONE DERIVATIVES AS PARP INHIBITORS

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Page/Page column 62, (2020/11/30)

The present invention relates to compounds of formula (I) and compositions containing said compounds acting as PARP (Poly (ADP- ribose) polymerase) inhibitors. Moreover, the present invention provides processes for the preparation of the disclosed compounds, as well as methods of using them, for instance as a medicine, in particular for the treatment of cell proliferative disorders, such as cancer.

Facile synthesis of phthalides from methyl ortho-iodobenzoates and ketones via an iodinemagnesium exchange reaction using a silylmethyl Grignard reagent

Nakamura, Yu,Yoshida, Suguru,Hosoya, Takamitsu

supporting information, p. 858 - 861 (2017/06/13)

Phthalides have been easily prepared by the treatment of methyl o-iodobenzoates with a silylmethyl Grignard reagent in the presence of ketones. The electron-withdrawing ester moiety of methyl o-iodobenzoates and the low nucleophilicity of the silylmethyl Grignard reagent prompted a smooth iodinemagnesium exchange reaction, at room temperature, without affecting the ester moiety or resulting in an undesired reaction with electrophilic ketones. This simple method, wherein special control of the reaction temperature was unnecessary, has allowed the synthesis of various phthalides, including a phenolphthalein derivative.

Discovery of Highly Potent Dual Orexin Receptor Antagonists via a Scaffold-Hopping Approach

Heidmann, Bibia,Gatfield, John,Roch, Catherine,Treiber, Alexander,Tortoioli, Simone,Brotschi, Christine,Williams, Jodi T.,Bolli, Martin H.,Abele, Stefan,Sifferlen, Thierry,Jenck, Fran?ois,Boss, Christoph

, p. 2132 - 2146 (2016/10/25)

Starting from suvorexant (trade name Belsomra), we successfully identified interesting templates leading to potent dual orexin receptor antagonists (DORAs) via a scaffold-hopping approach. Structure–activity relationship optimization allowed us not only to improve the antagonistic potency on both orexin 1 and orexin 2 receptors (Ox1 and Ox2, respectively), but also to increase metabolic stability in human liver microsomes (HLM), decrease time-dependent inhibition of cytochrome P450 (CYP) 3A4, and decrease P-glycoprotein (Pgp)-mediated efflux. Compound 80 c [{(1S,6R)-3-(6,7-difluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-8-yl}(4-methyl-[1,1′-biphenyl]-2-yl)methanone] is a potent and selective DORA that inhibits the stimulating effects of orexin peptides OXA and OXB at both Ox1 and Ox2. In calcium-release assays, 80 c was found to exhibit an insurmountable antagonistic profile at both Ox1 and Ox2, while displaying a sleep-promoting effect in rat and dog models, similar to that of the benchmark compound suvorexant.

PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM

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Paragraph 0420, (2015/02/19)

Compounds of formula (I): wherein A1, A2, Ra, Rb, Rc, Rd, R3, R4, R5 and T are as defined in the description. Medicinal products containing the same which are useful in treating pathologies involving a deficit in apoptosis, such as cancer, auto-immune diseases, and diseases of the immune system.

USE OF BENZIMIDAZOLE-PROLINE DERIVATIVES

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Page/Page column 18, (2015/06/18)

The present invention relates to compounds of the formula (I), wherein Ar1 and Ar2 are as described in the description and to their use as pharmaceuticals for the treatment of sundown syndrome. The invention also relates to the preparation of such compounds and of pharmaceutically acceptable salts thereof.

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