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3,3-diMethyl-6-nitrobenzo[c][1,2]oxaborol-1(3H)-ol is a boron-containing heterocyclic chemical compound with a unique structure that features a nitro group. It is widely recognized for its role in organic synthesis, particularly in the formation of carbon-carbon and carbon-heteroatom bonds. The presence of the boron center in its structure endows it with the ability to engage in distinctive chemical reactions, establishing its reputation as a versatile and valuable compound in organic chemistry.

1266084-47-2

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1266084-47-2 Usage

Uses

Used in Pharmaceutical and Agrochemical Synthesis:
3,3-diMethyl-6-nitrobenzo[c][1,2]oxaborol-1(3H)-ol is utilized as a key building block in the synthesis of various pharmaceuticals and agrochemicals. Its nitro group and boron-containing structure contribute to the development of novel compounds with potential therapeutic and pesticidal properties.
Used in Organic Synthesis:
In the field of organic synthesis, 3,3-diMethyl-6-nitrobenzo[c][1,2]oxaborol-1(3H)-ol serves as a crucial reagent for the formation of carbon-carbon and carbon-heteroatom bonds. Its unique chemical properties facilitate the creation of complex molecular structures, making it an indispensable tool for chemists in designing and synthesizing new organic compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 1266084-47-2 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,6,6,0,8 and 4 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1266084-47:
(9*1)+(8*2)+(7*6)+(6*6)+(5*0)+(4*8)+(3*4)+(2*4)+(1*7)=162
162 % 10 = 2
So 1266084-47-2 is a valid CAS Registry Number.

1266084-47-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,3-dimethyl-6-nitrobenzo[c][1,2]oxaborol-1(3H)-ol

1.2 Other means of identification

Product number -
Other names .3,3-dimethyl-6-nitro-3H-benzo[c][1.2]oxaborol-1-ol

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:1266084-47-2 SDS

1266084-47-2Relevant academic research and scientific papers

Exploring boron applications in modern agriculture: A structure-activity relationship study of a novel series of multi-substitution benzoxaboroles for identification of potential fungicides

Liu, Chunliang,Steere, Luke,McGregor, Cari,Frederick, Brittany H.,Pastoor, Timothy,Zhou, Yasheen,Liu, C. Tony,Cai, Yan,Zhou, Haibo,Xu, Musheng,Wang, Jiangong,Kim, Sang Hu,Whitesell, Luke,Cowen, Leah E.,Zhang, Yong-Kang

, (2021)

Several boron-containing small molecules have been approved by the US FDA to treat human diseases. We explored potential applications of boron-containing compounds in modern agriculture by pursuing multiple research and development programs. Here, we report a novel series of multi-substitution benzoxaboroles (1–36), a compound class that we recently reported as targeting geranylgeranyl transferase I (GGTase I) and thereby inhibiting protein prenylation (Kim et al., 2020). These compounds were designed, synthesized, and tested against the agriculturally important fungal pathogens Mycosphaerella fijiensis and Colletotrichum sublineolum in a structure–activity relationship (SAR) study. Compounds 13, 28, 30, 34 and 36 were identified as active leads with excellent antifungal MIC95 values in the range of 1.56–3.13 ppm against M. fijiensis and 0.78–3.13 ppm against C. sublineolum.

BORON CONTAINING COMPOUNDS AND THEIR USES

-

, (2020/03/29)

The present disclosure contemplates novel boron-containing compounds and their uses as active agents that exhibit pesticidal activity such as antimicrobial, insecticidal, arachnicidal, and/or anti parasitic activity. An agrochemical composition containing such a compound and its use in, animal health, agriculture, or horticulture is also contemplated. A method for promoting plant performance and/or controlling, reducing, preventing, ameliorating, or inhibiting microbes, insects, arachnids, and/or parasites on or in an animal, a plant, a plant part, plant propagation material, and/or harvested fruits or vegetables is also contemplated.

BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF

-

, (2012/08/28)

Disclosed herein are polybasic bacterial efflux pump inhibitors containing boronic acid functionality and theft methods of synthesis, methods of use, and pharmaceutical compositions. Some embodiments include methods of treating or preventing a bacterial infection by co-administering to a subject infected with bacteria or at risk of infection with bacteria the efflux pump inhibitor with another anti-bacterial agent

Synthesis and SAR of acyclic HCV NS3 protease inhibitors with novel P4-benzoxaborole moieties

Li, Xianfeng,Zhang, Suoming,Zhang, Yong-Kang,Liu, Yang,Ding, Charles Z.,Zhou, Yasheen,Plattner, Jacob J.,Baker, Stephen J.,Bu, Wei,Liu, Liang,Kazmierski, Wieslaw M.,Duan, Maosheng,Grimes, Richard M.,Wright, Lois L.,Smith, Gary K.,Jarvest, Richard L.,Ji, Jing-Jing,Cooper, Joel P.,Tallant, Matthew D.,Crosby, Renae M.,Creech, Katrina,Ni, Zhi-Jie,Zou, Wuxin,Wright, Jon

, p. 2048 - 2054 (2011/04/24)

We have synthesized and evaluated a new series of acyclic P4-benzoxaborole-based HCV NS3 protease inhibitors. Structure-activity relationships were investigated, leading to the identification of compounds 5g and 17 with low nanomolar potency in the enzymatic and cell-based replicon assay. The linker-truncated compound 5j was found to exhibit improved absorption and oral bioavailability in rats, suggesting that further reduction of molecular weight and polar surface area could result in improved drug-like properties of this novel series.

BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS

-

, (2011/02/24)

This invention provides, among other things, novel compounds useful for treating protozoal infections, pharmaceutical compositions containing such compounds, as well as combinations of these compounds with at least one additional therapeutically effective

BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS

-

, (2011/02/24)

This invention provides, among other things, novel compounds useful for treating protozoal infections, pharmaceutical compositions containing such compounds, as well as combinations of these compounds with at least one additional therapeutically effective agent. The compounds are of the following formula: wherein R1 is a member selected from alkyl or aryl or heteroaryl, in which at least one substituent on said alkyl or said aryl or said heteroaryl is optionally substituted with a member selected from halogen, C1 or C2 or C3 or C4 or C5 or C6 unsubstituted alkyl, C1 or C2 or C3or C4 or C5 or C6 unsubstituted alkoxy, halosubstituted C1 or C2 or C3or C4 or C5 or C6 alkyl, halosubstituted C1 or C2 or C3 or C4 or C5 or C6 alkoxy, unsubstituted C1 or C2 or C3 or C4or C5 or C6 alkylthio, unsubstituted phenyl; and X is aryl or heteroaryl, in which one substituent on said aryl or said heteroaryl is a member selected from halogen, unsubstituted C1 or C2 or C3 or C4 or C5 or C6 alkyl, unsubstituted C1 or C2 or C3 or C4 or C5 or C6 alkoxy, halosubstituted C1 or C2 or C3 or C4 or C5 or C6 alkyl, halosubstituted C1 or C2 or C3 or C4 or C5 or C6 alkoxy, unsubstituted C1 or C2 or C3 or C4 or C5 or C6 alkylthio, unsubstituted phenyl or a salt thereof.

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