209958-42-9

Basic information

• Product Name: N-Boc-4-Bromo-2-fluoroaniline
• Synonyms: (4-Bromo-2-fluorophenyl)carbamic acid tert-butyl ester;N-Boc-4-Bromo-2-fluoroaniline;tert-Butyl N-(4-bromo-2-fluorophenyl)carbamate;Carbamic acid, N-(4-bromo-2-fluorophenyl)-, 1,1-dimethylethyl ester
• CAS NO: 209958-42-9
• Molecular Formula: C₁₁H₁₃BrFNO₂
• Molecular Weight: 290.13
• Mol File: 209958-42-9.mol

Chemical Properties

• Boiling Point: 272.239°C at 760 mmHg
• Flash Point: 118.446°C
• Appearance: /
• Density: 1.459g/cm³
• Vapor Pressure: 0.006mmHg at 25°C
• Refractive Index: 1.555
• Storage Temp.: 2-8°C
• PKA: 11.90±0.70(Predicted)
• CAS DataBase Reference: N-Boc-4-Bromo-2-fluoroaniline(CAS DataBase Reference)
• NIST Chemistry Reference: N-Boc-4-Bromo-2-fluoroaniline(209958-42-9)
• EPA Substance Registry System: N-Boc-4-Bromo-2-fluoroaniline(209958-42-9)

Safety Data

• Hazardous Substances Data: 209958-42-9(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
N-Boc-4-Bromo-2-fluoroaniline is utilized as a building block in organic synthesis for the creation of pharmaceuticals and other bioactive compounds. Its unique structure, featuring both bromine and fluorine atoms, enables the compound to participate in a wide range of chemical reactions, facilitating the synthesis of diverse organic molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, N-Boc-4-Bromo-2-fluoroaniline is employed as a key intermediate in the synthesis of various drugs. Its reactivity and the presence of the Boc group make it a valuable component in the development of new medications with specific therapeutic properties.
Used in Peptide Synthesis:
N-Boc-4-Bromo-2-fluoroaniline is used as a protective group in peptide synthesis. The Boc group helps prevent unwanted side reactions during the synthesis process, ensuring the formation of the desired peptide sequence with high purity and yield.
Used in Bioactive Compounds Synthesis:
N-Boc-4-Bromo-2-fluoroaniline is also used in the synthesis of bioactive compounds, where its reactivity and the presence of the Boc group contribute to the development of molecules with potential applications in various biological and medical fields.

InChI:InChI=1/C11H13BrFNO2/c1-11(2,3)16-10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,1-3H3,(H,14,15)

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 367-24-8 4-bromo-2-fluoroaniline 
• 75-09-2 dichloromethane 

Downstream Products

• 218301-89-4 2-fluoro-4-(1'-methylimidazol-2'-yl)-1-tert-butoxycarbonylaniline 
• 262444-42-8 tert-butyl N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate 
• 880252-35-7 [2-fluoro-4-(4-[1,2,3]triazol-1-yl-butyl)-phenyl]-carbamic acid tert-butyl ester 
• 819058-34-9 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline 
• 870545-80-5 C₃₁H₃₃FN₄O₂ 
• 1293979-48-2 C₁₅H₁₉FN₂O₂ 
• 1293979-49-3 C₁₅H₂₁FN₂O₂ 
• 1293979-64-2 C₂₀H₂₈FN₃O₃ 
• 1293979-65-3 C₁₅H₂₀FN₃O 
• 1293979-59-5 C₂₄H₂₃ClFN₃O₃S 
• 1293979-58-4 C₂₄H₂₃ClFN₃O₃S 
• 1293979-57-3 C₂₀H₂₁ClFN₃O₃S₂ 
• 1293979-56-2 C₂₀H₂₁ClFN₃O₃S₂ 

Relevant articles and documents

DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE

Bifunctional compounds formed by conjugating BTK inhibitor moieties with E3 ligase ligand moieties, which function to recruit targeted proteins to E3 ubiquitin ligase for degradation, and methods of preparation and uses thereof.

Pyrazolo[3,4-c]pyridine derivative

The invention relates to a pyrazolo[3,4-c]pyridine derivative. The invention relates to a compound represented by a formula (I), a tautomer thereof, an optical isomer thereof or a pharmaceutically acceptable salt thereof, wherein the formula (I) is shown in the description, and Z, X, RNc, RNd, RNe and RNf are defined according to the claim 1. The invention further relates to the pharmaceutical composition contain the compound. The invention further relates to use of the compound or the pharmaceutical composition in preparing a drug for preventing and/or treating a disease which inhibits positive influence of an Xa factor, particularly use in preparing the drug for preventing and/or treating the disease which inhibits positive influence of the Xa factor under the condition of low hemorrhage risk.

1,3,4-OXADIAZOLE DERIVATIVES AND THEIR USES TO TREAT DIABETES

DGAT-1 inhibitor compounds of formula (I) and pharmaceutically-acceptable salts thereof are described, together with pharmaceutical compositions, processes for making them and their use in treating, for example, obesity (I) wherein n is 0, 1, 2 or 3, R is independently selected from fluoro, chloro, bromo, trifluoromethyl, methoxy, difluoromethoxy and trifluoromethoxy and Z is carboxy or a mimic or bioisostere thereof, hydroxyl, hydroxymethyl, or ?CONRbRc wherein Rb and Rc are independently selected from hydrogen and (1-4C)alkyl, which (1-4C)alkyl group may be optionally substituted by carboxy or a mimic or bioisostere thereof.

NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS

The present application describes nitrogen containing heteroaromatics and derivatives thereof of formula (I) or pharmaceutically acceptable salt or prodrug forms thereof, wherein J is N or NH and D may be C(=NH)NH2, which are useful as inhibitors of factor Xa.

Substituted sulphoximines as Tie2 inhibitors and salts thereof, pharmaceutical compositions comprising the same, methods of preparing the same and uses of the same

The invention relates to substituted sulphoximines according to the general formula (I): in which A, E, G, X, R1, R2, R3, R4, R5, R6, R7, R8, m, p, q, are given in the

SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS

This invention relates to novel pyrrozolotriazine compounds, pharmaceutical compositions containing such compounds and and the use of those compounds or compositions for treating hyper-proliferative and/or angiogenesis disorders, as a sole agent or in combination with other active ingredients.

SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME

The invention relates to sulfonamido-macrocycles according to the general formula (I): in which R1, R2, R4, R5, R6, A, B, C, L, X, Y, Z, n, and m are as defined in the claims, and salts, N-oxides, or

Discovery of 1-(3′-aminobenzisoxazol-5′-yl)-3-trifluoromethyl- N-[2-fluoro-4-[(2′-dimethylaminomethyl)imidazol-1-yl]phenyl] -1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor

Modification of a series of pyrazole factor Xa inhibitors to incorporate an aminobenzisoxazole as the P1 ligand resulted in compounds with improved selectivity for factor Xa relative to trypsin and plasma kallikrein. Further optimization of the P4 moiety led to compounds with enhanced permeability and reduced protein binding. The SAR and pharmacokinetic profile of this series of compounds is described herein. These efforts culminated in 1-(3′-aminobenzisoxazol-5′-yl)-3-trifluoromethyl-N-[2-fluoro-4- [(2′-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide (11d), a potent, selective, and orally bioavailable inhibitor of factor Xa. On the basis of its excellent in vitro potency and selectivity profile, high free fraction in human plasma, good oral bioavailability, and in vivo efficacy in antithrombotic models, the HCl salt of this compound was selected for clinical development as razaxaban (DPC 906, BMS-561389).

NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS

The present application describes nitrogen containing heteroaromatics and derivatives thereof of formula (I) or pharmaceutically acceptable salt forms thereof, wherein rings D-E represent guanidine mimics, which are useful as inhibitors of factor Xa.

3- SULFONYLAMINO- PYRROLIDINE- 2- ONE DERIVATIVES AS INHIBITORS OF FACTOR XA

The invention relates to compounds of formula (I): wherein: R1 represents a group selected from: formula (II), each ring of which optionally contains a further heteroatom N, Z represents an optional substituent halogen, alk represents alkylene or alkenylene, T represents S, O or NH; R2 represents hydrogen, -C1-6alkyl, -C1-3alkylCONRaRb, -C1-3alkylCO2C1-4alkyl, -CO2C1-4alkyl or -C1-3alkylCO2H; Ra and Rb independently represent hydrogen, -C1-6alkyl, or together with the N atom to which they are bonded form a 5-, 6- or 7- membered non-aromatic heterocyclic ring optionally containing an additional heteroatom selected from O, N or S, optionally substituted by C1-4alkyl, and optionally the S heteroatom is substituted by O, i.e. represents S(O)n; n represents 0-2; X represents phenyl or a 5- or 6- membered aromatic heterocyclic group containing at least one heteroatom selected from O, N or S, each of which is optionally substituted by 0-2 groups selected from: halogen, -C1-4alkyl, -C2-4alkenyl, -CN, -CF3, -NRaRb, -C0-4alkylORe, -C(O)Rf and -C(O)NRaRb; Re represents hydrogen or -C1-6alkyl; Rf represents -C1-6alkyl; Y represents a group -C(Rx)(Rz)C0-2alkylNRcRd; Rx represents C1-4alkyl optionally substituted by halogen (e.g. CF3, -CH2CF3); Rz represents hydrogen or C1-4alkyl optionally substituted by halogen (e.g. CF3, -CH2CF3); Rc and Rd independently represent hydrogen, -C1-6alkyl, -C1-4alkylOH, or together with the N atom to which they are bonded form a 4-, 5-, 6- or 7- membered non-aromatic heterocyclic ring, the 5-, 6- or 7- membered non-aromatic heterocyclic ring optionally containing an additional heteroatom selected from O, N or S, optionally substituted by C1-4alkyl; and/or pharmaceutically acceptable derivative thereof. The invention also relates to processes for the preparation of compounds of formula (I), pharmaceutical compositions containing compounds of formula (I) and to the use of compounds of formula (I) in medicine, particularly in the amelioration of a clinical condition for which a Factor Xa inhibitor is indicated.