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Benzene, 1-bromo-3-nitro-2-(phenylmethoxy)-, also known as 1-Bromo-3-nitro-2-anisylbenzene, is an organic compound with the molecular formula C13H10BrNO4. It is a colorless to pale yellow liquid that serves as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Additionally, it is utilized in the production of dyes and other organic compounds. Due to its toxic nature and potential to cause irritation to the skin, eyes, and respiratory system, it is crucial to handle, store, and dispose of this compound with care and follow safety precautions.

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  • 688363-79-3 Structure
  • Basic information

    1. Product Name: Benzene, 1-bromo-3-nitro-2-(phenylmethoxy)-
    2. Synonyms:
    3. CAS NO:688363-79-3
    4. Molecular Formula: C13H10BrNO3
    5. Molecular Weight: 308.131
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 688363-79-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Benzene, 1-bromo-3-nitro-2-(phenylmethoxy)-(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzene, 1-bromo-3-nitro-2-(phenylmethoxy)-(688363-79-3)
    11. EPA Substance Registry System: Benzene, 1-bromo-3-nitro-2-(phenylmethoxy)-(688363-79-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 688363-79-3(Hazardous Substances Data)

688363-79-3 Usage

Uses

Used in Pharmaceutical Industry:
Benzene, 1-bromo-3-nitro-2-(phenylmethoxy)is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical industry, Benzene, 1-bromo-3-nitro-2-(phenylmethoxy)is employed as an intermediate in the production of agrochemicals, contributing to the development of pesticides and other agricultural products that help improve crop yields and protect plants from pests.
Used in Dye Production:
Benzene, 1-bromo-3-nitro-2-(phenylmethoxy)is utilized in the manufacturing process of dyes, where its chemical properties contribute to the creation of a wide range of colors and hues for various applications, including textiles, plastics, and printing inks.
Used in Organic Compounds Synthesis:
Benzene, 1-bromo-3-nitro-2-(phenylmethoxy)is also used in the synthesis of other organic compounds, expanding its applications across different industries that rely on organic chemistry for the development of new products and materials.

Check Digit Verification of cas no

The CAS Registry Mumber 688363-79-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,8,8,3,6 and 3 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 688363-79:
(8*6)+(7*8)+(6*8)+(5*3)+(4*6)+(3*3)+(2*7)+(1*9)=223
223 % 10 = 3
So 688363-79-3 is a valid CAS Registry Number.

688363-79-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-bromo-3-nitro-2-phenylmethoxybenzene

1.2 Other means of identification

Product number -
Other names 1-bromo-3-nitro-2-[(phenylmethyl)oxy]benzene

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:688363-79-3 SDS

688363-79-3Relevant articles and documents

Design and synthesis of novel 3-(benzo[d]oxazol-2-yl)-5-(1-(piperidin-4-yl) -1H-pyrazol-4-yl)pyridin-2-amine derivatives as selective G-protein-coupled receptor kinase-2 and -5 inhibitors

Cho, Sung Yun,Lee, Byung Ho,Jung, Heejung,Yun, Chang Soo,Ha, Jae Du,Kim, Hyoung Rae,Chae, Chong Hak,Lee, Jeong Hyun,Seo, Ho Won,Oh, Kwang-Seok

, p. 6711 - 6716 (2013)

G-protein-coupled receptor kinase (GRK)-2 and -5 are emerging therapeutic targets for the treatment of cardiovascular disease. In our efforts to discover novel small molecules to inhibit GRK-2 and -5, a class of compound based on 3-(benzo[d]oxazol-2-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine was identified as a novel hit by high throughput screening campaign. Structural modification of parent benzoxazole scaffolds by introducing substituents on phenyl displayed potent inhibitory activities toward GRK-2 and -5.

An improved process for the preparation of Eltrombopag Olamine and its intermediates

-

Paragraph 0091-0092, (2021/07/30)

The present invention relates to an improved process for the purification of Eltrombopag olamine of compound of formula (2). The present invention also relates to an improved process for the preparation of Eltrombopag olamine intermediates and further conversion to Eltrombopag olamine of a compound of formula (2).

JAK INHIBITORS

-

Paragraph 0163; 0164, (2018/05/03)

Disclosed is a series of JAK inhibitors, which specifically relates to a compound shown in formula (I) or pharmaceutically acceptable salts thereof.

Preparation method of eltrombopag medicine for treating idiopathic thrombocytopenic purpura

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Paragraph 0016, (2018/04/28)

The invention discloses a preparation method of an eltrombopag medicine for treating idiopathic thrombocytopenic purpura. A chemical name of the eltrombopag is 3-{(2Z)-2-[1-(3,4-xylyl)-3-methyl-5-oxo-1,5-dihydrogen-4H-pyrazole-4-idene]hydrazine}-2- hydroxyl-3-biphenyl carboxylic acid-2-amine ethanol salt. The preparation method has the advantages that the preparation process is concise, the raw materials are easy to obtain, the hypertoxic iodomethane is not used, the economic and environment-friendly effects are realized, the industrialization is favorably realized, the economic and technicaldevelopment of the crude drug of the eltrombopag can be promoted, the production cost is reduced, and the preparation method is suitable for large-batch production.

Unexpected one pot C (aryl)-N bond cleavage and Questiomycin A formation from the reduction reaction of 2-amino-6-nitrophenol derivatives

Mustafa, Shaik,Santhosh Reddy,Surendra Babu

, p. 6104 - 6107 (2015/10/28)

2-Amino-6-nitrophenol derivatives 5A and 5B have been prepared from the bromonitro phenol derivative 4 using the Buchwald conditions. While attempting one pot reduction of nitro group and deprotection of phenolic benzyl group of the compounds 5A and 5B separately using Pd/C in methanol under H2 atmosphere, an unexpected C(aryl)-N bond cleavage reaction had occurred which was followed by formation of a known compound Questiomycin A (2-amino-3H-phenoxazin-3-one) 1 from both the compounds. In the present study, the danger of deamination of Buchwald products 5A and 5B under the conditions of catalytic hydrogenation and the simultaneous formation of phenoxazine 1 is disclosed.

Process for the preparation of a thrombopoietin agonist

-

Paragraph 0054; 0055; 0056, (2015/05/06)

The present invention relates to a process for the preparation of a thrombopoietin agonist, intermediates useful in its preparation, and a process for the preparation of said intermediates.

A practical nickel-catalyzed reductive alkylation of amidophenyl bromides

Liu, Xuge,Yang, Zhilin,Li, Ya-Min,Yang, Fan,Feng, Liang,Wang, Nengzhong,Ma, Debiao,Chang, Kwen-Jen,Shen, Yuehai

, p. 9522 - 9529 (2015/03/04)

A modified Weix's reductive coupling for alkylation of amidoaryl bromides based on Ni(COD)2 precatalyst and 2,2′-dipyridyl ligand was developed. This reaction is reliable for amidophenyl bromides and gives yields up to 87%, and is potentially useful in the synthesis of amidophenyl-containing molecules.

Substituted phenylimidazopyrazoles and their use

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Paragraph 1053; 1054; 1055; 1056, (2013/07/31)

The present application relates to novel 1-phenyl-1H-imidazo[1,2-b]pyrazole derivatives, to processes for their preparation, to their use for the treatment and/or prevention of diseases and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular angiogenic disorders and hyperproliferative disorders, where neovascularization plays a role, such as, for example, neoplastic disorders and tumour disorders. Such treatments can be carried out as monotherapy or else in combination with other medicaments or further therapeutic measures.

FARNESOID X RECEPTOR AGONISTS

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Page/Page column 199, (2009/03/07)

The present invention relates to famesoid X receptors (FXR, NR1H4) FXR is a member of the nuclear receptor class of ligand-activate transcription factors More particularly, the present invention relates to compounds useful as agonists for FXR, pharmaceutical formulations comprising such compounds, and therapeutic use of the same Novel isoxazole compounds are disclosed as part of pharmaceutical compositions for the treatment of a condition mediated by decreased FXR activity, such as obesity, diabetes, cholestatic liver disease, liver fibrosis, and metabolic syndrome

FXR agonist activity of conformationally constrained analogs of GW 4064

Akwabi-Ameyaw, Adwoa,Bass, Jonathan Y.,Caldwell, Richard D.,Caravella, Justin A.,Chen, Lihong,Creech, Katrina L.,Deaton, David N.,Madauss, Kevin P.,Marr, Harry B.,McFadyen, Robert B.,Miller, Aaron B.,Navas III, Frank,Parks, Derek J.,Spearing, Paul K.,Todd, Dan,Williams, Shawn P.,Bruce Wisely

supporting information; experimental part, p. 4733 - 4739 (2010/06/12)

Two series of conformationally constrained analogs of the FXR agonist GW 4064 1 were prepared. Replacement of the metabolically labile stilbene with either benzothiophene or naphthalene rings led to the identification of potent full agonists 2a and 2g.

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