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2-(2-chloro-5-nitrophenyl)pyridine is an organic compound that serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of hedgehog pathway inhibitors.
Used in Pharmaceutical Industry:
2-(2-chloro-5-nitrophenyl)pyridine is used as a chemical intermediate for the synthesis of Vismondegib (V674700), a hedgehog pathway inhibitor. 2-(2-chloro-5-nitrophenyl)pyridine plays a crucial role in the development of medications targeting the hedgehog signaling pathway, which is implicated in various diseases, including cancer and congenital disorders.

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  • 879088-40-1 Structure
  • Basic information

    1. Product Name: 2-(2-chloro-5-nitrophenyl)pyridine
    2. Synonyms: 2-(2-chloro-5-nitrophenyl)pyridine;4-Chloro-3-(pyridin-2-yl)nitrobenzene;2-(2-chloro-5-nitrophenyl)pyridine hydrochloride
    3. CAS NO:879088-40-1
    4. Molecular Formula: C11H7ClN2O2
    5. Molecular Weight: 235
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 879088-40-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-(2-chloro-5-nitrophenyl)pyridine(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-(2-chloro-5-nitrophenyl)pyridine(879088-40-1)
    11. EPA Substance Registry System: 2-(2-chloro-5-nitrophenyl)pyridine(879088-40-1)
  • 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: 879088-40-1(Hazardous Substances Data)

879088-40-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 879088-40-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,9,0,8 and 8 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 879088-40:
(8*8)+(7*7)+(6*9)+(5*0)+(4*8)+(3*8)+(2*4)+(1*0)=231
231 % 10 = 1
So 879088-40-1 is a valid CAS Registry Number.

879088-40-1SDS

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 2-(2-Chloro-5-nitrophenyl)pyridine

1.2 Other means of identification

Product number -
Other names 4-chloro-3-(pyridin-2-yl)nitrobenzene

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:879088-40-1 SDS

879088-40-1Relevant articles and documents

Preparation method of vimodegil

-

, (2020/05/05)

The invention provides a preparation method of vimodegil. 2-chloro-5-nitroacetophenone is used as a raw material; 5-oxo-5-(2-chloro-5-nitrophenyl) n-valeraldehyde is prepared through an addition reaction between 2-chloro-5-nitroacetophenone and acrolein,

Selective Late-Stage Oxygenation of Sulfides with Ground-State Oxygen by Uranyl Photocatalysis

Li, Yiming,Rizvi, S. Aal-e-Ali,Hu, Deqing,Sun, Danwen,Gao, Anhui,Zhou, Yubo,Li, Jia,Jiang, Xuefeng

supporting information, p. 13499 - 13506 (2019/08/21)

Oxygenation is a fundamental transformation in synthesis. Herein, we describe the selective late-stage oxygenation of sulfur-containing complex molecules with ground-state oxygen under ambient conditions. The high oxidation potential of the active uranyl cation (UO22+) enabled the efficient synthesis of sulfones. The ligand-to-metal charge transfer process (LMCT) from O 2p to U 5f within the O=U=O group, which generates a UV center and an oxygen radical, is assumed to be affected by the solvent and additives, and can be tuned to promote selective sulfoxidation. This tunable strategy enabled the batch synthesis of 32 pharmaceuticals and analogues by late-stage oxygenation in an atom- and step-efficient manner.

A [...] synthesis of intermediates method and application

-

Paragraph 0026; 0027; 0028; 0029; 0030; 0031; 0032, (2019/03/28)

The invention relates to a method for synthesizing intermediate [...] and application, which belongs to the field of organic synthesis, in particular to intermediate 2 - (2 - chloro - 5 - nitrophenyl) pyridine (i.e. compound A) preparation process, compri

Synthetic Path To Pharmaceutically Acceptable Vismodegib

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, (2018/10/19)

The present invention relates to a new route of synthesis to obtain pharmaceutically acceptable Vismodegib. In addition, besides the synthesis also suitable pharmaceutical compositions and the use of the compound for the treatment of basal-cell carcinomas

Synthesis method of vismodegib

-

Paragraph 0029; 0030; 0031, (2017/07/19)

The invention discloses a synthesis method of vismodegib. The method comprises the following reactions: firstly, enabling 2-chloro-5-nitrophenyl boronic acid and 2-bromopyridine to make a coupled reaction to generate an intermediate 2-(2-chloro-5-nitro) phenylpyridine; reducing nitro in the 2-(2-chloro-5-nitro) phenylpyridine to amino so as to obtain 2-(2-chloro-5-amino) phenylpyridine; finally, enabling the 2-(2-chloro-5-amino) phenylpyridine and 2-chloro-4-methyl sulfuryl benzaldehyde to make a catalytic reaction to generate the vismodegib. The synthesis method is low in price of raw materials, easy in raw material obtaining, simple and convenient to operate and less in consumption of a catalyst; the reaction product is high in yield, reaction conditions are mild, and aftertreatment is simple in technology and mainly adopts column separation, so that industrial mass production can be realized.

Palladium-Catalyzed ortho-Selective C-H Chlorination of Benzamide Derivatives under Anodic Oxidation Conditions

Konishi, Miki,Tsuchida, Kazuya,Sano, Katsuya,Kochi, Takuya,Kakiuchi, Fumitoshi

, p. 8716 - 8724 (2017/08/23)

The palladium-catalyzed ortho-selective chlorination of N-quinolinylbenzamide derivatives with hydrochloric acid was achieved under anodic oxidation conditions. The use of 5,7-dichloro-8-quinolinyl group as directing group was effective for the selective

Preparation method of vismodegib

-

Paragraph 0068-0077, (2017/10/07)

The invention relates to a preparation method of vismodegib. The preparation method of the vismodegib comprises the following steps: taking 2-chlorine-5-nitroacetophenone as a starting material, performing 1,4-addition reaction on the 2-chlorine-5-nitroac

Method for preparing Vismodegib

-

, (2017/04/28)

The invention provides a preparation method for vismodegib, and in other words, a preparation method for 2-chloro-N-(4-chloro-3-(pyridin-2-yl)-phenyl)-4-(methylsulfonyl)benzamide. The method comprises: firstly preparing an intermediate 2-(3-nitrophenyl)py

Vismodegib and wherein the intermediate preparation method

-

, (2016/10/09)

The invention provides a preparation method for vismodegib and an intermediate of vismodegib, in other words, a preparation method for 2-chloro-N-(4-chloro-3-(pyridin-2-yl)-phenyl)-4-(methylsulfonyl)benzamide and the intermediate. The method comprises: ta

Meta-Selective CAr-H Nitration of Arenes through a Ru3(CO)12-Catalyzed Ortho-Metalation Strategy

Fan, Zhoulong,Ni, Jiabin,Zhang, Ao

supporting information, p. 8470 - 8475 (2016/07/26)

The first example of transition metal-catalyzed meta-selective CAr-H nitration of arenes is described. With the use of Ru3(CO)12 as the catalyst and Cu(NO3)2·3H2O as the nitro source, a wide spectrum of arenes bearing diversified N-heterocycles or oximido as the directing groups were nitrated with meta-selectivity exclusively. Mechanism studies have demonstrated the formation of a new 18e-octahedral ruthenium species as a key ortho-CAr-H metalated intermediate, which may be responsible for the subsequent meta-selective electrophilic aromatic substitution (SEAr). Moreover, this approach provides a fast-track strategy for atom/step economical synthesis of many useful pharmaceutical molecules.

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