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Methyl 3-amino-2-chlorobenzoate, an organic compound with the chemical formula C8H8ClNO2, is characterized by a benzene ring with an amino group at the 3-position and a chlorine atom at the 2-position. This white to off-white crystalline powder is sparingly soluble in water but readily dissolves in organic solvents. Due to its potential to cause irritation to the skin, eyes, and respiratory system, careful handling is advised.

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  • 120100-15-4 Structure
  • Basic information

    1. Product Name: Methyl 3-aMino-2-chlorobenzoate
    2. Synonyms: Methyl 3-aMino-2-chlorobenzoate
    3. CAS NO:120100-15-4
    4. Molecular Formula: C8H8ClNO2
    5. Molecular Weight: 185.60762
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 120100-15-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 298.5±20.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.311±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    8. Solubility: N/A
    9. PKA: 1.51±0.10(Predicted)
    10. CAS DataBase Reference: Methyl 3-aMino-2-chlorobenzoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: Methyl 3-aMino-2-chlorobenzoate(120100-15-4)
    12. EPA Substance Registry System: Methyl 3-aMino-2-chlorobenzoate(120100-15-4)
  • 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: 120100-15-4(Hazardous Substances Data)

120100-15-4 Usage

Uses

Used in Pharmaceutical Industry:
Methyl 3-amino-2-chlorobenzoate is utilized as a key building block in the synthesis of various pharmaceuticals. Its unique chemical structure allows for the development of new drugs with specific therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, Methyl 3-amino-2-chlorobenzoate serves as an essential component in the production of pesticides and other crop protection agents. Its incorporation enhances the effectiveness of these products in managing pests and diseases.
Used in Organic Synthesis:
Methyl 3-amino-2-chlorobenzoate is employed as a versatile intermediate in organic synthesis for the preparation of a wide range of organic compounds. Its reactivity and functional groups make it a valuable precursor for the creation of various chemical entities.

Check Digit Verification of cas no

The CAS Registry Mumber 120100-15-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,0,1,0 and 0 respectively; the second part has 2 digits, 1 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 120100-15:
(8*1)+(7*2)+(6*0)+(5*1)+(4*0)+(3*0)+(2*1)+(1*5)=34
34 % 10 = 4
So 120100-15-4 is a valid CAS Registry Number.

120100-15-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 3-amino-2-chlorobenzoate

1.2 Other means of identification

Product number -
Other names 2-chloro-3-amino-benzoic acid methyl ester

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:120100-15-4 SDS

120100-15-4Downstream Products

120100-15-4Relevant articles and documents

From off-to on-target: New BRAF-inhibitor-template-derived compounds selectively targeting mitogen activated protein kinase kinase 4 (MKK4)

Kl?vekorn, Philip,Pfaffenrot, Bent,Juchum, Michael,Selig, Roland,Albrecht, Wolfgang,Zender, Lars,Laufer, Stefan A.

supporting information, (2020/11/20)

The mitogen-activated protein kinase (MAP) kinase 4 (MKK4) was found to be a major regulator of liver regeneration and could be a valuable drug target addressing liver related diseases by restoring its intrinsic regenerative capacity. We report on the synthesis and optimization of novel MKK4 inhibitors following a target-hopping strategy from the FDA-approved BRAFV600E inhibitor PLX4032 (8). Applying an iterative multi-parameter optimization process we carved out essential structural features yielding in compounds with a low nanomolar affinity for MKK4 and excellent selectivity profiles against the main off-targets MKK7 and JNK1, which, upon relevant inhibition, would totally abrogate the pro-regenerative effect of MKK4 inhibition, as well as against the off-targets MAP4K5, ZAK and BRAF with selectivity factors ranging from 40 to 430 for our best-balanced compounds 70 and 73.

TRANSGLUTAMINASE 2 (TG2) INHIBITORS

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Paragraph 00765, (2020/03/02)

Described herein are compounds and pharmaceutical compositions containing such compounds which inhibit transglutaminase 2 (TG2). Also described herein are methods for using such TG2 inhibitors, alone or in combination with other compounds, for treating diseases or conditions that would benefit from TG2 inhibition.

COMPOUNDS, COMPOSITIONS AND METHODS OF USE

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Page/Page column 88-89, (2020/07/06)

Herein, compounds, compositions and methods for modulating inclusion formation and stress granules in cells related to the onset of neurodegenerative diseases, musculoskeletal diseases, cancer, ophthalmological diseases, and viral infections are described.

PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH

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Page/Page column 64; 65, (2018/08/12)

The invention relates to MKK4 (mitogen-activated protein kinase 4) and their use in promoting liver regeneration or reducing or preventing hepatocyte death. The MKK4 inhibitors selectively inhibit protein kinase MKK4 over protein kinases JNK and MKK7.

The second factor as inhibitor XIA pyridonecarboxylic dihydropyridines P1

-

Paragraph 0659, (2016/10/08)

The present invention provides compounds of Formula (X):(Formula (X), or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, wherein all the variables are as defined herein. These compounds are selective factor XIa inhibitors or dual inhibitors of FXIa and plasma kallikrein. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL

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Page/Page column 51; 52, (2013/05/21)

The present invention provides compounds of Formula (I) and the pharmaceutically acceptable salts thereof, which are inhibitors of the ROMK (Kir 1.1) channel. The compounds act as diuretics and natriuretics and are valuable pharmaceutically active compounds for the therapy and prophylaxis of medical conditions including cardiovascular diseases such as hypertension and conditions resulting from excessive salt and water retention.

INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL

-

Page/Page column 34; 35, (2013/05/21)

The present invention provides compounds of Formula I I and the pharmaceutically acceptable salts thereof, which are inhibitors of the ROMK (Kir1.1) channel. The compounds act as diuretics and natriuretics and are valuable pharmaceutically active compounds for the therapy and prophylaxis of medical conditions including cardiovascular diseases such as hypertension and conditions resulting from excessive salt and water retention.

BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS

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Page/Page column 97, (2011/06/16)

The present invention provides thiazole sulfonamide and oxazole sulfonamide compounds, compositions containing the same, as well as processes for the preparation and methods for their use as pharmaceutical agents.

Benzene Sulfonamide Thiazole and Oxazole Compounds

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Page/Page column 63, (2009/12/23)

The present invention provides thiazole sulfonamide and oxazole sulfonamide compounds, compositions containing the same, as well as processes for the preparation and methods for their use as pharmaceutical agents.

Palladium-catalyzed indole and azaindole synthesis by direct annulation of electron-poor o-chloroanilines and o-chloroaminopyridines with aldehydes

Xu, Zhengren,Hu, Weimin,Zhang, Fengying,Li, Qingjiang,Lue, Zhiyao,Zhang, Lihe,Jia, Yanxing

experimental part, p. 3981 - 3987 (2009/05/27)

A practical process for the synthesis of 2-unsubstituted indoles and azaindoles has been developed by the palladium-catalyzed direct annulation of electron-poor o-chloro/bromoanilines and o-chloroaminopyridines with aldehydes. Coupled with the previous results of Jia and Zhu, this allows rapid access to a variety of 2-unsubstituted indoles and azaindoles starting from simple and easily accessible precursors. Georg Thieme Verlag Stuttgart.

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