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2-bromo-4-n-butylacetophenone, also known as bromofenac, is a chemical compound with the molecular formula C12H15BrO. It is a white to off-white crystalline solid that is commonly used as a pharmaceutical intermediate in the synthesis of various medications. As a ketone derivative, it is often used as a building block in the manufacture of non-steroidal anti-inflammatory drugs (NSAIDs) and is known for its mild analgesic and anti-inflammatory properties. 2-bromo-4-n-butylacetophenone is a versatile chemical that is widely employed in the pharmaceutical industry for its role as a key intermediate in the synthesis of various therapeutic agents.

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  • 64356-03-2 Structure
  • Basic information

    1. Product Name: 2-bromo-4-n-butylacetophenone
    2. Synonyms: 2-bromo-4-n-butylacetophenone;2-bromo-1-(4-butylphenyl)ethanone
    3. CAS NO:64356-03-2
    4. Molecular Formula: C12H15BrO
    5. Molecular Weight: 255.15
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 64356-03-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 320.5°C at 760 mmHg
    3. Flash Point: 47.1°C
    4. Appearance: /
    5. Density: 1.275g/cm3
    6. Vapor Pressure: 0.000316mmHg at 25°C
    7. Refractive Index: 1.54
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-bromo-4-n-butylacetophenone(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-bromo-4-n-butylacetophenone(64356-03-2)
    12. EPA Substance Registry System: 2-bromo-4-n-butylacetophenone(64356-03-2)
  • 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: 64356-03-2(Hazardous Substances Data)

64356-03-2 Usage

Uses

Used in Pharmaceutical Industry:
2-bromo-4-n-butylacetophenone is used as a pharmaceutical intermediate for the synthesis of various medications, particularly non-steroidal anti-inflammatory drugs (NSAIDs). It serves as a building block in the production of these drugs, contributing to their analgesic and anti-inflammatory properties.
Used in Organic Compound Production:
2-bromo-4-n-butylacetophenone is used as a key intermediate in the production of other organic compounds. Its versatile chemical structure allows it to be incorporated into a wide range of molecules, enhancing their therapeutic potential and expanding their applications in various industries.
Used in Medication Synthesis:
2-bromo-4-n-butylacetophenone is used as a key component in the synthesis of various therapeutic agents. Its presence in the molecular structure of these medications allows for the development of new and effective treatments for a variety of conditions, including pain and inflammation.

Check Digit Verification of cas no

The CAS Registry Mumber 64356-03-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,4,3,5 and 6 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 64356-03:
(7*6)+(6*4)+(5*3)+(4*5)+(3*6)+(2*0)+(1*3)=122
122 % 10 = 2
So 64356-03-2 is a valid CAS Registry Number.
InChI:InChI=1/C12H15BrO/c1-2-3-4-10-5-7-11(8-6-10)12(14)9-13/h5-8H,2-4,9H2,1H3

64356-03-2SDS

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 2-bromo-1-(4-butylphenyl)ethanone

1.2 Other means of identification

Product number -
Other names 2-Bromo-4'-butylacetophenone

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:64356-03-2 SDS

64356-03-2Relevant articles and documents

Identification of Anti-Mycobacterial Biofilm Agents Based on the 2-Aminoimidazole Scaffold

Nguyen, T. Vu,Minrovic, Bradley M.,Melander, Roberta J.,Melander, Christian

, p. 927 - 937 (2019/03/26)

Tuberculosis (TB) remains a significant global health problem for which new therapeutic options are sorely needed. The ability of the causative agent, Mycobacterium tuberculosis, to reside within host macrophages and form biofilm-like communities contributes to the persistent and drug-tolerant nature of the disease. Compounds that can prevent or reverse the biofilm-like phenotype have the potential to serve alongside TB antibiotics to overcome this tolerance, and decrease treatment duration. Using Mycobacterium smegmatis as a surrogate organism, we report the identification of two new 2-aminoimidazole compounds that inhibit and disperse mycobacterial biofilms, work synergistically with isoniazid and rifampicin to eradicate preformed M. smegmatis biofilms in vitro, are nontoxic toward Galleria mellonella, and exhibit stability in mouse plasma.

An efficient heterogeneous gold(I)-catalyzed hydration of haloalkynes leading to α-halomethyl ketones

Hu, Sifan,Liu, Dayi,Yan, Chenyu,Cai, Mingzhong

supporting information, p. 2983 - 2991 (2018/12/04)

A highly efficient heterogeneous gold(I)-catalyzed hydration of haloalkynes has been developed that proceeds smoothly under mild and neutral conditions and provides a general and practical route for the synthesis of a variety of α-halomethyl ketones with high atom-economy, excellent yield, and recyclability of the gold(I) catalyst. The presented method delivers an attractive alternative to classical α-halogenation of ketones.

2-(4-ARYL-1H-IMIDAZOL-1-YL)ANILINE COMPOUNDS

-

Paragraph 0071; 0096, (2015/11/27)

The present invention provides compounds that are useful as vaccine adjuvants and/or antitumor agents and methods for producing and using the same. In one particular aspect of the invention, compounds of the invention are of the formula (I) where R1, R2, R3 and Ar1 are those defined herein.

Small molecule suppression of carbapenem resistance in ndm-1 producing klebsiella pneumoniae

Worthington, Roberta J.,Bunders, Cynthia A.,Reed, Catherine S.,Melander, Christian

, p. 357 - 361 (2012/07/01)

The already considerable global public health threat of multidrug-resistant Gram-negative bacteria has become even more of a concern following the emergence of New Delhi metallo-β-lactamase (NDM-1) producing strains of Klebsiella pneumoniae and other Gram-negative bacteria. As an alternative approach to the traditional development of new bactericidal entities, we have identified a 2-aminoimidazole-derived small molecule that acts as an antibiotic adjuvant and is able to suppress resistance of a NDM-1 producing strain of K. pneumoniae to imipenem and meropenem, in addition to suppressing resistance of other β-lactam nonsusceptible K. pneumoniae strains. The small molecule is able to lower carbapenem minimum inhibitory concentrations by up to 16-fold, while exhibiting little bactericidal activity itself.

2-Arylimino-2,3-dihydrothiazoles, and their use thereof as somatostatin receptor ligands

-

Page column 46, (2010/02/06)

The invention concerns novel 2-arylimino-2,3-dihydrothiazole derivatives of general formula (I), their preparation methods and their use as medicines, in particular for treating pathological conditions or diseases wherein one (or several) somatostatin receptors is/are involved. Said pathological conditions include in particular acromegaly, pituitary adenoma or endocrine gastroenteropanceatic tumors including the carcinoid syndrome, and gastrointestinal bleeding. In general formula (I), R1 represents in particular an alkyl, aralkyl, cyclohexyl radical optionally substituted by an amino radical or R1 represents a —C(R11)(R12)—CO—R10 radical wherein R11 represents H, R12 represents in particular H, carbocyclic or heterocyclic alkyl, cycloalkyl or aralkyl and R10 represents in particular an aminoalkylamino radical; R2 represents a carcyclic or heterocyclic aryl radical optionally substituted; R3 represents in particular COR5 or a carbocyclic or heterocyclic alkyl, adamantyl, aryl radical optionally substituted, carbocyclic or heterocyclic aralkyl optionally substituted on the aryl group; and R5 represents a radical fixed by a nitrogen atom to the group CO.

Process for producing optically active carbinols

-

, (2008/06/13)

The present invention relates to a process for producing optically active halomethyl phenyl carbinols of the formula (1), comprising reducing halomethyl phenyl ketones of the formula (2) using an asymmetric reducing agent obtained from boranes and optically active α-phenyl-substituted-β-amino alcohols of the formula (3) or optically active α-non-substituted-β-amino alcohols of the formula (4). The present invention further relates to a process for producing optically active carbinols, comprising reacting a prochiral keytone with an asymmetric reducing agent obtained from optically active β-amino alcohols of the formula (5), a metal boron hydride and Lewis acid or lower dialkyl sulfuric acid. All of the formulas (1) to (5) are the same as shown in the specification.

Near-Infrared Dichroism of a Mesogenic Transition Metal Complex and its Solubility in Nematic Hosts

Marshall, K. L.,Jacobs, S. D.

, p. 181 - 196 (2007/10/02)

A transition metal complex possessing the nematic phase, bis (p-n-butylstyryl-1,2-dithiolato) nickel, was synthetized and its optical properties and solubility in the nematic hosts K15 and MBBA were investigated.The metal complex displayed a high solubility in both host materials (up to 10percent wt/wt) and a strong near-infrared absorption band centered at 860 nm.A blocking extinction of greater than OD=3 was obtained with a 100 micron pathlength of a 0.5percent wt/wt mixture of the nematic metal complex in K15, suggesting its usefulness for passive blocking of near-infrared radiation.A 24 micron thick, homogeneously aligned guest-host cell containing a 1percent wt/wt mixture of the metal complex in K15 possessed a contrast ratio of nearly 5:1 and a blocking extinction of OD=3.5 at 860 nm, demonstrating for the first time the existence of near-infrared dichroism in this class of materials.The solubility and blocking extinction of the mesogenic metal complex in K15 was considerably superior to the non-mesogenic near IR laser dye bis(dimethylaminodithiobenzil)nickel in the same host.An interaction of the nematic metal complex in mixtures with MBBA which resulted in the creation of a new absorption band at 1050 nm was also observed.

Transitions de Phase en Series Mesogenes: Les di TTF et les diTTF

Chann, N. B.,Cotrait, M.,Gautlier, J.,Haget, Y.,Tinh, Nguyen Huu,et al.

, p. 129 - 142 (2007/10/02)

The polymorphism of the di(4-alkylphenyl) and di(4-alkoxyphenyl) tetrathiafulvalene (TTF) is investigated by optical, crystallographic and calorimetric methods.All the studied derivatives are mesomorphic.The first mesophase is always a smectic G phase; th

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