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4-bromo-2-tert-butylphenylamine is an organic compound that serves as a key intermediate in the synthesis of various pharmaceutical compounds. It is characterized by the presence of a bromine atom at the 4-position and a tert-butyl group at the 2-position on a phenyl ring, which imparts unique chemical properties and reactivity to the molecule.

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  • 850012-44-1 Structure
  • Basic information

    1. Product Name: 4-bromo-2-tert-butylphenylamine
    2. Synonyms: 4-bromo-2-tert-butylphenylamine;4-bromo-2-(tert-butyl)aniline
    3. CAS NO:850012-44-1
    4. Molecular Formula: C10H14BrN
    5. Molecular Weight: 228.12886
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 850012-44-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 146-147 °C(Press: 9 Torr)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.306±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C(protect from light)
    8. Solubility: N/A
    9. PKA: 3.08±0.10(Predicted)
    10. CAS DataBase Reference: 4-bromo-2-tert-butylphenylamine(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-bromo-2-tert-butylphenylamine(850012-44-1)
    12. EPA Substance Registry System: 4-bromo-2-tert-butylphenylamine(850012-44-1)
  • 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: 850012-44-1(Hazardous Substances Data)

850012-44-1 Usage

Uses

Used in Pharmaceutical Industry:
4-bromo-2-tert-butylphenylamine is used as a synthetic intermediate for the preparation of 1-(2-tert-Butyl-4-bromophenyl)pyrrolidin-2-one (T135885), which is a crucial component in the synthesis of [1,1'':3'',1'''']terphenyl-4-carboxylic acid and esters. These compounds act as ligands modulating retinoic acid receptors (RAR), playing a significant role in the development of therapeutic agents targeting various diseases and conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 850012-44-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,5,0,0,1 and 2 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 850012-44:
(8*8)+(7*5)+(6*0)+(5*0)+(4*1)+(3*2)+(2*4)+(1*4)=121
121 % 10 = 1
So 850012-44-1 is a valid CAS Registry Number.

850012-44-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-bromo-2-tert-butylaniline

1.2 Other means of identification

Product number -
Other names 4-bromo-2-tert-butylphenylamine

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:850012-44-1 SDS

850012-44-1Relevant articles and documents

New method for the synthesis of N-tert-alkoxyarylaminyl radicals

Miura, Yozo,Muranaka, Yoshikazu,Teki, Yoshio

, p. 4786 - 4794 (2006)

The reactions of 2,4-diaryl-6-tert-butylnitrosobenzenes with 2,2′-azobis[2-(methoxycarbonyl)propane] (5a), 2,2′-azobis(2-cyano-4- methylpentane) (5b), and 2,2′-azobis(2-cyano-4-methyl-4-methoxypentane) (5c) in refluxing benzene gave stable N-tert-alkoxy-2

A Photorobust Mo(0) Complex Mimicking [Os(2,2′-bipyridine)3]2+and Its Application in Red-to-Blue Upconversion

Bilger, Jakob B.,Kerzig, Christoph,Larsen, Christopher B.,Wenger, Oliver S.

supporting information, p. 1651 - 1663 (2021/02/01)

Osmium(II) polypyridines are a well-known class of complexes with luminescent metal-to-ligand charge-transfer (MLCT) excited states that are currently experiencing a revival due to their application potential in organic photoredox catalysis, triplet-triplet annihilation upconversion, and phototherapy. At the same time, there is increased interest in the development of photoactive complexes made from Earth-abundant rather than precious metals. Against this background, we present a homoleptic Mo(0) complex with a new diisocyanide ligand exhibiting different bite angles and a greater extent of π-conjugation than previously reported related chelates. This new design leads to deep red emission, which is unprecedented for homoleptic arylisocyanide complexes of group 6 metals. With a 3MLCT lifetime of 56 ns, an emission band maximum at 720 nm, and a photoluminescence quantum yield of 1.5% in deaerated toluene at room temperature, the photophysical properties are reminiscent of the prototypical [Os(2,2′-bipyridine)3]2+ complex. Under 635 nm irradiation with a cw-laser, the new Mo(0) complex sensitizes triplet-triplet annihilation upconversion of 9,10-diphenylanthracene (DPA), resulting in delayed blue fluorescence with an anti-Stokes shift of 0.93 eV. The photorobustness of the Mo(0) complex and the upconversion quantum yield are high enough to generate a flux of upconverted light that can serve as a sufficiently potent irradiation source for a blue-light-driven photoisomerization reaction. These findings are relevant in the greater contexts of designing new luminophores and photosensitizers for use in red-light-driven photocatalysis, photochemical upconversion, light-harvesting, and phototherapy.

KRAS G12C INHIBITORS AND METHODS OF USING THE SAME

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Paragraph 0255; 0256, (2019/11/22)

Provided herein are KRAS G12C inhibitors, composition of the same, and methods of using the same. These inhibitors are useful for treating a number of disorders, including pancreatic, colorectal, and lung cancers.

HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS

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Page/Page column 392; 393, (2018/03/25)

The invention relates to activators of FXR useful in the treatment of autoimmune disorders, liver disease, intestinal disease, kidney disease, cancer, and other diseases in which FXR plays a role, having the Formula (I): (I), wherein L1, A, X1, X2, R1, R2, and R3 are described herein.

Iron-Catalyzed Intramolecular Aminations of C(sp3)?H Bonds in Alkylaryl Azides

Alt, Isabel T.,Guttroff, Claudia,Plietker, Bernd

supporting information, p. 10582 - 10586 (2017/08/22)

The nucleophilic iron complex Bu4N[Fe(CO)3(NO)] (TBA[Fe]) catalyzes the direct intramolecular amination of unactivated C(sp3)?H bonds in alkylaryl azides, which results in the formation of substituted indoline and tetrahydroquinoline derivatives.

Highly atroposelective synthesis of arylpyrroles by catalytic asymmetric Paal-Knorr reaction

Zhang, Lei,Zhang, Jian,Ma, Ji,Cheng, Dao-Juan,Tan, Bin

supporting information, p. 1714 - 1717 (2017/02/15)

A general and efficient method for accessing enantiomerically pure arylpyrroles by utilizing the catalytic asymmetric Paal-Knorr reaction has been developed for the first time. A wide range of axially chiral arylpyrroles were obtained in high yields with

SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE

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Page/Page column 284, (2017/08/01)

The present invention provides compounds of Formula (I) or a subgeneric structure or species thereof, or a pharmaceutically acceptable salt, ester, solvate, and/or prodrug thereof, and methods and compositions for treating or ameliorating abnormal cell proliferative disorders, such as cancer, wherein A, R2, R3, R10, E1, E2, E3, Y, and Z are as defined herein.

Catalytic C(sp3)?H Arylation of Free Primary Amines with an exo Directing Group Generated In Situ

Xu, Yan,Young, Michael C.,Wang, Chengpeng,Magness, David M.,Dong, Guangbin

, p. 9084 - 9087 (2016/07/26)

Herein, we report the palladium-catalyzed direct arylation of unactivated aliphatic C?H bonds in free primary amines. This method takes advantage of an exo-imine-type directing group (DG) that can be generated and removed in situ. A range of unprotected aliphatic amines are suitable substrates, undergoing site-selective arylation at the γ-position. Methyl as well as cyclic and acyclic methylene groups can be activated. Furthermore, when aniline-derived substrates were used, preliminary success with δ-C?H arylation was achieved. The feasibility of using the DG component in a catalytic fashion was also demonstrated.

CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA

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Page/Page column 64, (2014/03/21)

The invention provides modulators for the orphan nuclear receptor RORy and methods for treating RORy mediated diseases by administering these novel RORy modulators to a human or a mammal in need thereof. Specifically, the present invention provides carboxamide containing cyclic compounds of Formula (1) to Formula (5) and the enantiomers, diastereomers, tautomers, /V-oxides, solvates and pharmaceutically acceptable salts thereof.

PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (ROR?, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES

-

Page/Page column 83, (2013/06/27)

The invention provides modulators for the orphan nuclear receptor ROR? and methods for treating ROR? mediated diseases by administrating these novel ROR? modulators to a human or a mammal in need thereof. Specifically, the present invention provides pyrrolo carboxamide compounds of Formula (1) and the enantiomers, diastereomers, N-oxides, tautomers, solvates and pharmaceutically acceptable salts thereof.

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