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Benzoyl chloride, 3-iodo-4-Methyl-, is a chemical compound characterized by a benzene ring with an attached carbonyl chloride group and a methyl group bearing an iodine atom. It is known for its utility in acylation reactions due to the presence of the benzoyl chloride group, while the 3-iodo-4-methyl substituents confer unique chemical properties that facilitate further functionalization. Benzoyl chloride, 3-iodo-4-Methylis a versatile reagent in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and dyes.

52107-98-9

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52107-98-9 Usage

Uses

Used in Pharmaceutical Industry:
Benzoyl chloride, 3-iodo-4-Methylis used as a reagent in the synthesis of pharmaceuticals for its ability to participate in acylation reactions, which are crucial for the formation of various drug molecules. The 3-iodo-4-methyl substituents provide additional sites for chemical modification, enhancing the compound's potential in creating novel pharmaceutical agents.
Used in Agrochemical Industry:
In the agrochemical sector, Benzoyl chloride, 3-iodo-4-Methylis utilized as a precursor in the production of agrochemicals. Its reactivity in acylation reactions allows for the synthesis of compounds with pesticidal or herbicidal properties, contributing to the development of effective crop protection agents.
Used in Dye Industry:
Benzoyl chloride, 3-iodo-4-Methylis employed as an intermediate in the synthesis of dyes due to its capacity to undergo acylation reactions, which are essential for creating a diverse range of colored compounds used in various applications, including textiles and printing inks.
Used in the Production of Functional Materials:
Benzoyl chloride, 3-iodo-4-Methylserves as an important intermediate in the creation of functional materials, where its unique chemical properties and reactivity contribute to the development of materials with specific properties required for various industrial applications.
It is important to handle and store Benzoyl chloride, 3-iodo-4-Methylwith care due to its corrosive and toxic nature, ensuring safety in its use across different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 52107-98-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,2,1,0 and 7 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 52107-98:
(7*5)+(6*2)+(5*1)+(4*0)+(3*7)+(2*9)+(1*8)=99
99 % 10 = 9
So 52107-98-9 is a valid CAS Registry Number.
InChI:InChI=1/C8H6ClIO/c1-5-2-3-6(8(9)11)4-7(5)10/h2-4H,1H3

52107-98-9SDS

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 3-Iodo-4-methylbenzoyl chloride

1.2 Other means of identification

Product number -
Other names -

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:52107-98-9 SDS

52107-98-9Relevant academic research and scientific papers

An efficient synthesis of nilotinib (AMN107)

Huang, Wei-Sheng,Shakespeare, William C.

, p. 2121 - 2124 (2007)

A concise synthesis of AMN107, a compound currently undergoing several phase II/III clinical trials for chronic myelogenous leukemia is described. The new procedure reduces the number of synthetic steps from eight to four, with an overall yield of 65%. Georg Thieme Verlag Stuttgart.

Discovery of a Candidate Containing an (S)-3,3-Difluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydro-1 H-inden Scaffold as a Highly Potent Pan-Inhibitor of the BCR-ABL Kinase including the T315I-Resistant Mutant for the Treatment of Chronic Myeloid Leukemia

Zhang, Dongfeng,Li, Peng,Gao, Yongxin,Song, Yaoyao,Zhu, Yaqin,Su, Hong,Yang, Beibei,Li, Li,Li, Gang,Gong, Ningbo,Lu, Yang,Shao, Huanjie,Yu, Chunrong,Huang, Haihong

, p. 7434 - 7452 (2021/06/25)

BCR-ABL kinase inhibition is an effective strategy for the treatment of chronic myeloid leukemia (CML). Herein, we report compound 3a-P1, bearing a difluoro-indene scaffold, as a novel potent pan-inhibitor against BCR-ABL mutants, including the most refractory T315I mutant. As the privileged (S)-isomer compared to its (R)-isomer 3a-P2, 3a-P1 exhibited potent antiproliferative activities against K562 and Ku812 CML cells and BCR-ABL and BCR-ABLT315I BaF3 cells, with IC50 values of 0.4, 0.1, 2.1, and 4.7 nM, respectively. 3a-P1 displayed a good safety profile in a battery of assays, including single-dose toxicity, hERG K+, and genotoxicity. It also showed favorable mice pharmacokinetic properties with a good oral bioavailability (32%), a reasonable half-life (4.61 h), and a high exposure (1386 h·ng/mL). Importantly, 3a-P1 demonstrated a higher potency than ponatinib in a mice xenograft model of BaF3 harboring BCR-ABLT315I. Overall, the results indicate that 3a-P1 is a promising drug candidate for the treatment of CML to overcome the imatinib-resistant T315I BCR-ABL mutation.

Discovery of Potent Antiallergic Agents Based on ano-Aminopyridinyl Alkynyl Scaffold

Bai, Fang,Chen, Taiwen,Fan, Chen,Hu, Youhong,Li, Xin,Liu, Moting,Ma, Yanjie,Tang, Wei,Xiang, Caigui,Xie, Zhicheng

supporting information, p. 13588 - 13603 (2021/09/20)

Effective therapeutic agents are highly desired for immune-mediated allergic diseases. Herein, we report the design, synthesis, and structure-activity relationship of ano-aminopyridinyl alkyne series as novel orally bioavailable antiallergic agents, which

COMPOUNDS USEFUL FOR INHIBITING RAF DIMERS

-

Paragraph 0151; 0152, (2020/09/12)

The disclosure provides compounds of Formula I (Formula I) (c) And the pharmaceutically acceptable salts thereof. The A, B, C, and D rings and the variables, RA, RB, RC, RD, L0, L1, L2

Accelerated Discovery of Novel Ponatinib Analogs with Improved Properties for the Treatment of Parkinson's Disease

Kaiser, Thomas M.,Dentmon, Zackery W.,Dalloul, Christopher E.,Sharma, Savita K.,Liotta, Dennis C.

supporting information, p. 491 - 496 (2020/04/30)

Parkinson's disease (PD) is a debilitating and common neurodegenerative disease. New insights implicating c-Abl activation as a driving force in PD have opened a new drug development avenue for PD treatment beyond the symptomatic relief by L-DOPA. BCR-Abl inhibitors, which include nilotinib and ponatinib, have been found to inhibit this process, and nilotinib has shown improvement in outcomes in a 12-patient, nonrandomized trial. However, nilotinib is a potent inhibitor of hERG, a cardiac K+ channel whose inhibition increases risk of sudden death. We used our machine learning approach to predict novel molecules that would inhibit c-Abl while also having minimal liability against hERG. Of our six novel compounds tested, we identified two that had c-Abl potencies comparable to nilotinib, but with significantly improved profiles regarding the hERG channel. Our best compound exhibited a hERG IC50 of 12.1 μM (compared to nilotinib with an IC50 of 0.45 μM and ponatinib with IC50 of 0.767 μM). This work is a step forward for a machine learning enabled, multiparameter optimization of a chemical space and represents a significant advance in the development of novel Parkinson's therapies.

ABELSON NON-TYROSINE KINASE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES

-

Page/Page column 8; 19-20; 24; 28, (2020/10/28)

The present disclosure relates to compounds for the use of treating neurodegenerative diseases and, in particular, to compounds targeting the Abelson non-tyrosine kinase (c-Abl) protein for such treatment. The neurological disorders and conditions include Parkinson's disease, Alzheimer's disease and the like. It also relates to pharmaceutical compositions and methods of treatment of such neurological disorders involving the c-Abl protein kinase.

Novel substituted benzoyl compound and its pharmaceutically acceptable salt and preparation method and application (by machine translation)

-

Paragraph 0045; 0048; 0058-0059, (2019/11/13)

The invention relates to the general formula I shown novel substituted benzoyl compound and its pharmaceutically acceptable salt and preparation method and application. The invention also provides pharmaceutical compositions containing them, in vitro and in vivo anti-tumor effect results and acute toxicity study, the obtained anti-tumor drug model substituted benzoyl compound, has more excellent anti-tumor activity and safety, can be in the treatment of leukemia, lung cancer, colon cancer, ovarian cancer and renal carcinoma tumor in the application, so that the therapeutic window, so in the medical field as antitumor agents in the very application value. (by machine translation)

Novel S-type or R-type tetrahydronaphthalene amide compounds and pharmaceutically acceptable salts thereof, and preparation method and application thereof

-

Paragraph 0158; 0175-0177, (2019/11/29)

The invention relates to novel S-type or R-type tetrahydronaphthalene amide compounds and pharmaceutically acceptable salts thereof, and a preparation method and application thereof. The novel S-typeor R-type tetrahydronaphthalene amide compounds and the

AMINOTHIAZOLE COMPOUNDS AS C-KIT INHIBITORS

-

Page/Page column 00259, (2018/07/05)

The invention relates to c-Kit inhibitors useful in the treatment of cancers, and other -threonine kinase mediated diseases, having the Formula: (I) wherein A, L, R1, R2, R3, and n are described herein.

Substituted tetrahydronaphthalene naphthalimide compound and its pharmaceutically acceptable salt and preparation method and application (by machine translation)

-

Paragraph 0068; 0084; 0085; 0086, (2017/08/25)

The invention relates to the general formula I shown in the naphthalimide substituted tetrahydronaphthalene amine compounds and their pharmaceutically acceptable salt and preparation method and application. As an anti-tumor drug, the invention also provid

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