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Benzoic acid, 2-amino-3-bromo-, methyl ester, also known as methyl 3-bromo-2-aminobenzoate, is a chemical compound with the molecular formula C8H8BrNO2. It belongs to the family of benzoic acids and its derivatives, specifically the Benzoic acid esters. Typically presented as a colorless to light yellow liquid, this compound has potential applications in various fields.

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  • 104670-74-8 Structure
  • Basic information

    1. Product Name: Benzoic acid, 2-amino-3-bromo-, methyl ester
    2. Synonyms: Benzoic acid, 2-amino-3-bromo-, methyl ester;Methyl 2-aMino-3-broMobenzoate;3-Bromoanthranilic acid methyl ester;Ethyl 3-bromo-2-aminobenzoate;2-Amino-3-Bromo-, Methyl Ester
    3. CAS NO:104670-74-8
    4. Molecular Formula: C8H8BrNO2
    5. Molecular Weight: 230.05862
    6. EINECS: 200-158-5
    7. Product Categories: N/A
    8. Mol File: 104670-74-8.mol
  • Chemical Properties

    1. Melting Point: 47-48℃
    2. Boiling Point: 287.2±20.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.578±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
    8. Solubility: N/A
    9. PKA: 0.13±0.10(Predicted)
    10. CAS DataBase Reference: Benzoic acid, 2-amino-3-bromo-, methyl ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: Benzoic acid, 2-amino-3-bromo-, methyl ester(104670-74-8)
    12. EPA Substance Registry System: Benzoic acid, 2-amino-3-bromo-, methyl ester(104670-74-8)
  • 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: 104670-74-8(Hazardous Substances Data)

104670-74-8 Usage

Uses

Used in Pharmaceutical Industry:
Benzoic acid, 2-amino-3-bromo-, methyl ester is used as an antimicrobial agent for its potential to combat various microorganisms. Its antimicrobial properties make it a valuable compound in the development of pharmaceutical products.
Used in Research and Development:
Benzoic acid, 2-amino-3-bromo-, methyl ester is used as a key compound in organic synthesis and material science research. Its unique structure and properties contribute to the advancement of scientific understanding and the creation of new materials and compounds.
Used in Organic Synthesis:
Benzoic acid, 2-amino-3-bromo-, methyl ester is used as a building block in the synthesis of more complex organic molecules. Its reactivity and functional groups make it a versatile component in the creation of new organic compounds.
It's important to handle this chemical with care due to its potential health hazards, and notable suppliers such as Kuraray and Sigma Aldrich ensure its availability for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 104670-74-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,4,6,7 and 0 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 104670-74:
(8*1)+(7*0)+(6*4)+(5*6)+(4*7)+(3*0)+(2*7)+(1*4)=108
108 % 10 = 8
So 104670-74-8 is a valid CAS Registry Number.
InChI:InChI=1S/C8H8BrNO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,10H2,1H3

104670-74-8SDS

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 Methyl 2-amino-3-bromobenzoate

1.2 Other means of identification

Product number -
Other names Benzoic acid,2-amino-3-bromo-,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:104670-74-8 SDS

104670-74-8Relevant articles and documents

Phenanthridin-6-one derivatives as the first class of non-steroidal pharmacological chaperones for Niemann-Pick disease type C1 protein

Fukuda, Hiromitsu,Karaki, Fumika,Dodo, Kosuke,Noguchi-Yachide, Tomomi,Ishikawa, Minoru,Hashimoto, Yuichi,Ohgane, Kenji

, p. 2781 - 2787 (2017)

Niemann-Pick disease type C is a fatal, progressive neurodegenerative disease mostly caused by mutations in Nieamnn-Pick type C1 (NPC1), a late endosomal membrane protein that is essential for intracellular cholesterol transport. The most prevalent mutation, I1061T (Ile to Thr), interferes with the protein folding process. Consequently, mutated but intrinsically functional NPC1 proteins are prematurely degraded via proteasome, leading to loss of NPC1 function. Previously, we reported sterol derivatives as pharmacological chaperones for NPC1, and showed that these derivatives can normalize folding-defective phenotypes of I1061T NPC1 mutant by directly binding to, and stabilizing, the protein. Here, we report a series of compounds containing a phenanthridin-6-one scaffold as the first class of non-steroidal pharmacological chaperones for NPC1. We also examined their structure-activity relationships.

QUINOXALINE DERIVATIVES

-

Page/Page column 65, (2021/07/24)

The present invention relates to compounds according to general formula (I), which act as modulators of the glucocorticoid receptor and can be used in the treatment and/or prophylaxis of disorders which are at least partially mediated by the glucocorticoid receptor.

Biphenyl compound as well as preparation method and medical application thereof

-

Paragraph 0297-0303; 0579-0585, (2020/11/22)

The invention discloses a biphenyl compound as well as a preparation method and medical application thereof, the structure of the biphenyl compound is shown as a formula (I) or a formula (II), and thebiphenyl compound or pharmaceutically acceptable salt, tautomer, meso-isomer, raceme, stereoisomer, metabolite, metabolite precursor, prodrug or solvate thereof is a PD-L1 inhibitor. The compound hasa remarkable inhibiting effect on the interaction of PD-1 and PD-L1 protein, so that the compound can be applied to the preparation of PD-L1 inhibitors and immunomodulator drugs for preventing or treating tumors, autoimmune diseases, organ transplant rejection, infectious diseases and inflammatory diseases.

SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES

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Page/Page column 85, (2020/02/14)

The present invention relates to compounds according to general formula (I) which act as modulators of the glucocorticoid receptor and can be used in the treatment and/or prophylaxis of disorders which are at least partially mediated by the glucocorticoid receptor.

HERBICIDAL CINNOLINIUM COMPOUNDS

-

Page/Page column 69, (2020/07/14)

Compounds of the formula (I) wherein the substituents are as defined in claim 1, useful as a pesticides, especially as herbicides.

Discovery of VU6027459: A First-in-Class Selective and CNS Penetrant mGlu7Positive Allosteric Modulator Tool Compound

Reed, Carson W.,Kalbfleisch, Jacob J.,Wong, Madison J.,Washecheck, Jordan P.,Hunter, Ashton,Rodriguez, Alice L.,Blobaum, Anna L.,Conn, P. Jeffrey,Niswender, Colleen M.,Lindsley, Craig W.

supporting information, p. 1773 - 1779 (2020/10/19)

Herein, we report the discovery of the first selective and CNS penetrant mGlu7 PAM (VU6027459) derived from a "molecular switch"within a selective mGlu7 NAM chemotype. VU6027459 displayed CNS penetration in both mice (Kp = 2.74) and rats (Kp= 4.78), it was orally bioavailable in rats (%F = 69.5), and undesired activity at DAT was ablated.

Benzoxadiazole compound and preparation method and medical use thereof

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Paragraph 0216-0222, (2019/06/07)

The invention discloses a benzoxadiazole compound and a preparation method and medical use thereof. The benzoxadiazole compound has the general structure shown in formula (I). The compound or pharmaceutically acceptable salts, tautomers, mesomers, racemates, stereoisomers, metabolites, metabolic precursors, prodrugs or solvates of the benzoxadiazole compound have an obvious inhibiting effect on PD-1/PD-L1 protein-protein interaction, so that the benzoxadiazole compound shown in the description can be applied to the preparation of an inhibitor with a PD-1/ PD-L1 inhibitory activity and the immunotherapy of tumors as an immunocheckpoint inhibitor.

EBNA1 INHIBITORS AND THEIR METHOD OF USE

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Paragraph 0253-0254; 0413, (2015/06/03)

Pharmaceutical compositions of the invention comprise EBNA1 inhibitors useful for the treatment of diseases caused by EBNA1 activity such as cancer, infectious mononucleosis, chronic fatigue syndrome, multiple sclerosis, systemic lupus erythematosus and rheumatoid arthritis. Pharmaceutical compositions of the invention also comprise EBNA1 inhibitors useful for the treatment of diseases caused by latent Epstein-Barr Virus (EBV) infection. Pharmaceutical compositions of the invention also comprise EBNA1 inhibitors useful for the treatment of diseases caused by lytic Epstein-Barr Virus (EBV) infection.

Ammonium chloride-catalyzed one-pot synthesis of 4(3H)-quinazolinones under solvent-free conditions

Huang, Guoli,Liu, Bo,Teng, Mingyu,Chen, Yegao

supporting information, p. 1786 - 1794 (2014/06/09)

Ammonium chloride, which is a very inexpensive and readily available reagent, can efficiently catalyze three-component, one-pot condensation reactions of 2-amino-benzoic acid esters, ortho esters, and aromatic amines to afford the corresponding 4(3H)-quinazolinones in good to excellent yields under solvent-free conditions.

Synthesis and biological evaluation of thieno[3,2-d]- pyrimidinones, thieno[3,2-d]pyrimidines and quinazolinones: Conformationally restricted 17β-hydroxysteroid dehydrogenase type 2 (17β-HSD2) inhibitors

Perspicace, Enrico,Marchais-Oberwinkler, Sandrine,Hartmann, Rolf W.

, p. 4487 - 4509 (2013/06/05)

In this study, a series of conformationally restricted thieno[3,2-d] pyrimidinones, thieno[3,2-d]pyrimidines and quinazolinones was designed and synthesized with the goal of improving the biological activity as 17β-hydroxysteroid dehydrogenase type 2 inhi

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