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α-Bromohexanophenone is an organic compound with the chemical formula C12H17BrO. It is a derivative of phenone, featuring a bromine atom attached to the alpha carbon (the carbon adjacent to the carbonyl group) and a hexanoyl chain. This colorless to pale yellow liquid is used as a synthetic intermediate in the production of various pharmaceuticals, agrochemicals, and other organic compounds. Due to its reactivity, α-bromohexanophenone can be employed in various chemical reactions, such as substitution, addition, and elimination processes. It is also known for its potential applications in the synthesis of fragrances and flavorings. However, it is important to handle α-bromohexanophenone with care, as it can be harmful if inhaled, ingested, or absorbed through the skin, and it may cause irritation to the eyes, skin, and respiratory system.

59774-06-0

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59774-06-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 59774-06-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,9,7,7 and 4 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 59774-06:
(7*5)+(6*9)+(5*7)+(4*7)+(3*4)+(2*0)+(1*6)=170
170 % 10 = 0
So 59774-06-0 is a valid CAS Registry Number.

59774-06-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-bromo-1-phenylhexan-1-one

1.2 Other means of identification

Product number -
Other names α-bromohexanophenone

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:59774-06-0 SDS

59774-06-0Relevant academic research and scientific papers

Designer Cathinones N-Ethylhexedrone and Buphedrone Show Different In Vitro Neurotoxicity and Mice Behaviour Impairment

de Mello-Sampayo, Cristina,Vaz, Ana Rita,Henriques, Sara C.,Fernandes, Adelaide,Paradinha, Fabiana,Florindo, Pedro,Faria, Paulo,Moreira, Rui,Brites, Dora,Lopes, Alvaro

, p. 392 - 412 (2021)

N-Ethylhexedrone (NEH) and buphedrone (Buph) are emerging synthetic cathinones (SC) with limited information about their detrimental effects within central nervous system. Objectives: To distinguish mice behavioural changes by NEH and Buph and validate th

Cathinone Derivatives, Pharmaceutical Formulations, and Methods

-

, (2022/03/04)

Compounds, such as cathinone derivatives, and pharmaceutical formulations that include the compounds. The compounds may have a first selectivity for a first receptor subtype that is at least 10 times greater than a second selectivity for a second receptor subtype from the same class of receptors. Methods of treating patients, which may include administering to a patient a pharmaceutical formulation that includes a compound, such as a cathinone derivative.

Nickel-Catalyzed Enantioconvergent Reductive Hydroalkylation of Olefins with α-Heteroatom Phosphorus or Sulfur Alkyl Electrophiles

Fu, Yao,He, Shi-Jiang,Li, Yan,Lu, Xi,Wang, Jia-Wang,Wang, Xiao-Xu,Xu, Zhe-Yuan

supporting information, (2020/01/22)

Substantial advances in enantioconvergent C(sp3)-C(sp3) bond formation reactions have been made in recent years through the use of transition-metal-catalyzed cross-coupling reactions of racemic secondary alkyl electrophiles with organometallic reagents. Herein, we report a general process for the asymmetric construction of alkyl-alkyl bonds adjacent to heteroatoms, namely, a nickel-catalyzed enantioconvergent reductive hydroalkylation of olefins with α-heteroatom phosphorus or sulfur alkyl electrophiles. Including the use of readily available olefins, this reaction has considerable advantages, such as mild reaction conditions, a broad substrate scope, and good functional group compatibility, making it a desirable alternative to traditional electrophile-nucleophile cross-coupling reactions.

2-Amino-4-arylthiazoles through One-Pot Transformation of Alkylarenes with NBS and Thioureas

Shibasaki, Kaho,Togo, Hideo

, p. 2520 - 2527 (2019/04/04)

Treatment of alkylarenes with N-bromosuccinimide in a mixture of ethyl acetate and water at 60 °C, a mixture of acetonitrile and water at 80 °C, or a mixture of diethyl carbonate and water under irradiation with a tungsten lamp, followed by a reaction with thioureas or arenethioamides provided the corresponding 2-amino- 4-arylthiazoles or 2,4-diarylthiazoles in good to moderate yields, respectively, in one pot. The present reaction is an efficient one-pot transformation method of alkylarenes into 2-amino-4-arylthiazoles and 2,4-diarylthiazoles directly under mild and transition-metal-free conditions.

A H2O2/HBr system-several directions but one choice: oxidation-bromination of secondary alcohols into mono- or dibromo ketones

Nikishin, Gennady I.,Kapustina, Nadezhda I.,Sokova, Liubov L.,Bityukov, Oleg V.,Terent'ev, Alexander O.

, p. 28632 - 28636 (2018/08/31)

In this work we found that a H2O2-HBr(aq) system allows synthesis of α-monobromo ketones and α,α′-dibromo ketones from aliphatic and secondary benzylic alcohols with yields up to 91%. It is possible to selectively direct the process toward the formation of mono- or dibromo ketones by varying the amount of hydrogen peroxide and hydrobromic acid. The convenience of application, simple equipment, multifaceted reactivity, and compliance with green chemistry principles make the application of the H2O2-HBr(aq) system very attractive in laboratories and industry. The proposed oxidation-bromination process is selective in spite of known properties of ketones to be oxidized by the Baeyer-Villiger reaction or peroxidated with the formation of compounds with the O-O moiety in the presence of hydrogen peroxide and Bronsted acids.

Substituted Phenylpiperazinyl Aralkylalcohol Derivatives, Pharmaceutical Compositions Containing Such Derivatives and Uses Thereof

-

Page/Page column 17, (2011/12/13)

The invention relates to a substituted phenylpiperazine aryl alkanol derivative represented by the following general formula and its salt and hydrate, wherein C1 and C2 represent chiral carbon atoms, and the compound is one of the six isomers: (1RS, 2SR), (1RS, 2RS), (1R, 2S), (1S, 2S), (1R, 2R) or (1S, 2R); and R, R1, R2, R3 and Ar are as defined in the specification. The derivative is non-opioid analgesic, has good analgesic effect and relatively small side effects. The invention also relates to a composition comprising the derivative and its use.

Oxidation of secondary alkanols with the system cerium ammonium nitrate-lithium bromide into ketones, α-bromo ketones, and α,α -dibromo ketones

Nikishin,Sokova,Kapustina

experimental part, p. 391 - 395 (2011/02/17)

Oxidation of secondary alkanols with the system Ce(NH4) 2(NO3)6-LiBr in aqueous acetonitrile gave ketones, α-bromo ketones, or α,α-dibromo ketones. The selectivity of the reaction under standard conditions depends only on the molar ratio of the reagents (alkanol : CeIV : LiBr).

Synthesis and Anti-tetrabenazine Activity of C-3 Analogues of Dimethyl-2-phenylmorpholines

Boswell, G. Evan,Musso, David L.,Kelley, James L.,Soroko, Francis E.,Cooper, Barret R.

, p. 33 - 40 (2007/10/03)

A series of analogues of 2-phenylmorpholines with alkyl substituents at the C-3 position were synthesized for anti-tetrabenazine (anti-TBZ) testing in mice.The target compounds were prepared by reaction of (2-bromoalkyl) phenyl ketones 21a-h with the appropriate aminoalcohol 20a-b to form morpholinols 22a-h.Hydride reduction of the morpholinols gave aminodiols 23a-h which were cyclized to morpholines 6, 8, 10-12, 14-16, 18 and 19 by acid catalysis.Compounds 7, 9, 13 and 17 were prepared by reductive formylation.The smaller straight chain substituents of 6, 8, 12 and 15, and the beta branching of the iso-butyl group of 16 were well tolerated; anti-tetrabenazine ED50's were comparable to compounds 2-5.The α-branched, N-methylated, and side chain aryl derivatives were less active.

Preparation, Properties and Crystal Structures of New Nickel(II) Complexes of 1,2-Asymmetrically Substituted Dithiolenes for Third-order Non-linear Optical Applications

Hill, Callum A. S.,Charlton, Adam,Underhill, Allan E.,Malik, K. M. Abdul,Hursthouse, Michael B.,et al.

, p. 587 - 594 (2007/10/02)

Three new nickel(II) complexes of 1-alkyl-2-phenyl asymmetrically substituted dithiolenes 1=CR2S)2> (R1 = Ph; R2 = n-Bu, cyclopentylmethyl or 4-pentylcyclohexyl) have been prepared and their electrochemic

Proprietes nucleophiles des carbenoides monohalogenes non fonctionnels

Villieras, J.,Kirschleger, B.,Tarhouni, R.,Rambaud, M.

, p. 470 - 478 (2007/10/02)

The coupling of non functionalised monohalocarbenoids R1-CXLi-R2 1 (R1 = alkyl, H ; R2 = H, CH3) with carbonyl compounds at -115 degree leads to the formation of lithium salts of halohydrins which readily give epoxides (via lithium halide elimination) at -95 degree in the presence of lithium bromide.The regiospecific synthesis of α-haloketones and α-haloaldehydes can be achieved by acylation of 1 with esters.A total lack of reactivity of 1 towards powerful alkylating electrophiles has been observed showing that they are not nucleophilic organometallics.The reactivity with carbonyl compounds seems to be promoted by the carbonyl-lithium (from the carbenoid) complexation.A correlation between nucleophilic/electrophilic properties of carbenoids (mono-, di- and trihalo-) and their assigned structure (metallocarbenium halides) is discussed.

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