13091-43-5

Basic information

• Product Name: 2-AMINO-3-BROMO-5-METHYLBENZOIC ACID
• Synonyms: TIMTEC-BB SBB005907;BUTTPARK 35\07-05;2-AMINO-3-BROMO-5-METHYLBENZOIC ACID;2-AMINO-3-BROMO-5-METHYLBENZOIC ACID, 9&;6-Amino-5-bromo-m-toluicacid;3-bromo-5-methylanthranilic acid;2-AMINO-3-BROMO-5-METHYLBENZOIC ACID 98+%;2-Bromo-6-carboxy-4-methylaniline, 4-Amino-3-bromo-5-carboxytoluene, 6-Amino-5-bromo-m-toluic acid, 3-Bromo-5-methylanthranilic acid
• CAS NO: 13091-43-5
• Molecular Formula: C₈H₈BrNO₂
• Molecular Weight: 230.06
• EINECS: 1533716-785-6
• Product Categories: Amino Acids;Aromatic Amino Acids;Peptide Synthesis;Unnatural Amino Acid Derivatives
• Mol File: 13091-43-5.mol
• Article Data: 6

Chemical Properties

• Melting Point: 204-208 °C(lit.)
• Boiling Point: 350.2 °C at 760 mmHg
• Flash Point: 165.6 °C
• Appearance: /
• Density: 1.682g/cm³
• Vapor Pressure: 1.67E-05mmHg at 25°C
• Refractive Index: 1.651
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.62±0.10(Predicted)
• BRN: 3540992
• CAS DataBase Reference: 2-AMINO-3-BROMO-5-METHYLBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-AMINO-3-BROMO-5-METHYLBENZOIC ACID(13091-43-5)
• EPA Substance Registry System: 2-AMINO-3-BROMO-5-METHYLBENZOIC ACID(13091-43-5)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 22-43
• Safety Statements: 37/39
• WGK Germany: 3
• Hazardous Substances Data: 13091-43-5(Hazardous Substances Data)

Usage

General Description

2-AMINO-3-BROMO-5-METHYLBENZOIC ACID is a compound with the molecular formula C8H8BrNO2. It is a derivative of benzoic acid and contains an amino group, a bromo group, and a methyl group attached to a benzene ring. This chemical is used as a building block in the synthesis of pharmaceuticals, as well as in the production of dyes and pigments. It has potential applications in the field of medicinal chemistry, particularly in the development of new drugs with therapeutic properties. The compound's structure and properties make it a valuable intermediate in various organic syntheses and research activities.

InChI:InChI=1/C8H8BrNO2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,10H2,1H3,(H,11,12)

Upstream product

• 106-49-0 p-toluidine 
• 1132-40-7 2-hydroxyimino-N-p-tolyl-acetamide 
• 608-05-9 5-methyl-indole-2,3-dione 
• 206551-32-8 methyl 2-amino-3-bromo-5-methyl benzoate 
• 124807-88-1 2-bromo-4-methyl-α-isonitrosoacetanilide 
• 108938-16-5 7-bromo-5-methyl-2,3-dihydro-1H-indole-2,3-dione 
• 2941-78-8 2-Amino-5-methylbenzoic acid 

Downstream Products

• 154257-79-1 2,3-dibromo-5-methylbenzoic acid 
• 55414-71-6 (2-amino-3-bromo-5-methylphenyl)methanol 
• 750585-99-0 3-bromo-2-iodo-5-methylbenzoic acid 
• 324528-81-6 2-amino-3-bromo-5-methylbenzamide 
• 1279724-55-8 C₁₇H₁₇N₅O₂ 
• 885266-83-1 C₁₀H₉BrN₂O 
• 1268520-84-8 C₁₁H₁₁N₃O₂ 
• 215115-09-6 8-bromo-6-methylquinazolin-4(3H)-one 

Relevant articles and documents

Bicyclic heteroaryl compound with PAR4 antagonistic activity and application thereof

The invention discloses a bicyclic heteroaryl compound with PAR4 antagonistic activity and application thereof. The invention provides the bicyclic heteroaryl compound with PAR4 antagonistic activity,and the bicyclic heteroaryl compound has remarkable antagonistic activity on PAR4 in an in-vitro anti-platelet aggregation experiment, so that platelet aggregation is effectively inhibited, and the bicyclic heteroaryl compound can be used for preparing medicines for preventing or treating various thromboembolic diseases.

Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors

Intra-molecular hydrogen bonding was introduced to the quinazoline motif to form a pseudo ring (intra-molecular H-bond scaffold, iMHBS) to mimic our previous published core structures, pyrido[2.3-D]pyrimidin-7-one and pteridinone, as PI3K/mTOR dual inhibitors. This design results in potent PI3K/mTOR dual inhibitors and the purposed intra-molecular hydrogen bonding structure is well supported by co-crystal structure in PI3Kγ enzyme. In addition, a novel synthetic route was developed for these analogs.

Synthesis of 3,4-Dihydro-1,4-ethenonaphthalen-2(1H)-ones by Benzyne Cycloadditions.

As part of a project on the photochemistry of 3,4-dihydro-1,4-ethanonaphthalen-2(1H)-ones (benzobicyclooctanones), we were interested in preparing the model 9-ene precursors shown in Scheme 1.On the basis of previous work, it was envisaged that the