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(1S,2R)-2-BROMO-CYCLOHEXANOL is a chiral organobromine compound with the molecular formula C6H11BrO. It features a bicyclic structure and is a colorless liquid at room temperature. (1S,2R)-2-BROMO-CYCLOHEXANOL is commonly used as a reagent in organic synthesis due to its unique properties.

2425-33-4

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2425-33-4 Usage

Uses

Used in Pharmaceutical Industry:
(1S,2R)-2-BROMO-CYCLOHEXANOL is used as an intermediate in the production of various pharmaceutical substances. Its chiral nature and cyclohexane ring make it a versatile building block for the synthesis of complex organic molecules, which are essential in creating new drugs and improving existing ones.
Used in Agrochemical Industry:
In the agrochemical industry, (1S,2R)-2-BROMO-CYCLOHEXANOL is also utilized as an intermediate for the synthesis of various agrochemical products. Its unique structure allows for the development of new compounds that can be used in crop protection, pest control, and other agricultural applications, contributing to increased crop yields and more sustainable farming practices.

Check Digit Verification of cas no

The CAS Registry Mumber 2425-33-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,4,2 and 5 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 2425-33:
(6*2)+(5*4)+(4*2)+(3*5)+(2*3)+(1*3)=64
64 % 10 = 4
So 2425-33-4 is a valid CAS Registry Number.
InChI:InChI=1/C6H11BrO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2

2425-33-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name trans-2-Bromocyclohexanol

1.2 Other means of identification

Product number -
Other names (1S,2R)-2-BROMO-CYCLOHEXANOL

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:2425-33-4 SDS

2425-33-4Relevant academic research and scientific papers

Electrochemical bromofunctionalization of alkenes in a flow reactor

Seitz, Jakob,Wirth, Thomas

supporting information, p. 6892 - 6896 (2021/08/20)

The bromination of organic molecules has been extensively studied to date, yet there is still a demand for safe and sustainable methodologies. Hazardous reagents, selectivity, low atom economy and waste production are the most persisting problems of brominating reagents. The electrochemical oxidation of bromide to bromine is a viable strategy to reduce waste by avoiding chemical oxidants. Furthermore, thein situgeneration of reactive intermediates minimizes the risk of hazardous reagents. In this work, we investigate the electrochemical generation of bromine from hydrobromic acid in a flow electrochemical reactor. Various alkenes could be converted to their corresponding dibromides, bromohydrines, bromohydrin ethers and cyclized products in good to excellent yields.

Halofunctionalization of alkenes by vanadium chloroperoxidase from: Curvularia inaequalis

Dong, Jia Jia,Fernández-Fueyo, Elena,Li, Jingbo,Guo, Zheng,Renirie, Rokus,Wever, Ron,Hollmann, Frank

supporting information, p. 6207 - 6210 (2017/07/10)

The vanadium-dependent chloroperoxidase from Curvularia inaequalis is a stable and efficient biocatalyst for the hydroxyhalogenation of a broad range of alkenes into halohydrins. Up to 1 200 000 TON with 69 s-1 TOF were observed for the biocatalyst. A bienzymatic cascade to yield epoxides as reaction products is presented.

Catalytic Asymmetric Bromination of Unfunctionalized Olefins with H2O as a Nucleophile

Zhang, Xun,Li, Jing,Tian, Hua,Shi, Yian

, p. 11658 - 11663 (2015/08/18)

The dimeric cinchona alkaloid (DHQD)2PHAL is used to catalyze an effective asymmetric bromohydroxylation of unfunctionalized olefins with H2O as nucleophile an N-bromobenzamide as a bromine source. A variety of optically active bromohydrins are formed with up to 88%ee. PHAL's positive: An effective asymmetric bromohydroxylation of unfunctionalized olefins with H2O as nucleophile catalyzed by the dimeric cinchona alkaloid (DHQD)2PHAL (see scheme) is described. Optically active bromohydrins are obtained with up to 88%ee.

1,3,2,4-diazadiphosphetidine-based phosphazane oligomers as source of P(III) atom economy reagents: Conversion of epoxides to vic -haloalcohols, vic -dihalides, and alkenes in the presence of halogen sources

Iranpoor, Nasser,Firouzabadi, Habib,Etemadidavan, Elham

, p. 1165 - 1173 (2014/10/16)

1,3,2,4-Diazadiphosphetidines (P1-P3), as easily prepared, stable, and heterogeneous P(III) compounds, were used for the efficient conversion of epoxides to vic-halohydrins, vic-dihalides, or alkenes in the presence of different halogen sources in CH3CN. Of these phosphazanes, P3 is most suitable and contains 4 phosphorous atoms with the advantage of having greater atom economy and its phosphorus oxide byproduct can be easily separated from the reaction mixture by simple filtration. The nitrogen atoms in this molecule can also act as acid scavengers in the reaction.

Bromine and iodine-cucurbit[6]uril complexes: Preparation and applications in synthetic organic chemistry

Reddy,Cavallini,Demets,Silva

, p. 2262 - 2264 (2014/06/09)

Iodine and bromine inclusion compounds were easily prepared by gas diffusion of the halogens using finely powdered CB[6]. A brown powder consisting of I2-CB[6]·4H2O and an orange one of (Br 2)4-CB[6]·10H2O were employed in several different reactions. I2-CB[6] can be used in catalytic reactions giving yields comparable to those reported in the literature. Br 2-CB[6] was effectively applied in electrophilic bromination of benzene and formation of bromohydrin. However, the radical substitution at cyclohexene could not be performed. Overall, based on these results, several applications can be envisioned for these complexes. This journal is the Partner Organisations 2014.

Synthesis of Di-, Tri-, and tetrasubstituted oxetanes by rhodium-catalyzed O-H insertion and C-C bond-forming cyclization

Davis, Owen A.,Bull, James A.

supporting information, p. 14230 - 14234 (2015/02/19)

Oxetanes offer exciting potential as structural motifs and intermediates in drug discovery and materials science. Here an efficient strategy for the synthesis of oxetane rings incorporating pendant functional groups is described. A wide variety of oxetane 2,2-dicarboxylates were accessed in high yields, including functionalized 3-/4-aryl-and alkyl-substituted oxetanes and fused oxetane bicycles. Enantioenriched alcohols provided enantioenriched oxetanes with complete retention of configuration. The oxetane products were further derivatized, while the ring was maintained intact, thus highlighting their potential as building blocks for medicinal chemistry.

Cytochrome P450 catalyzed oxidative hydroxylation of achiral organic compounds with simultaneous creation of two chirality centers in a single C-H activation step

Roiban, Gheorghe-Doru,Agudo, Ruben,Reetz, Manfred T.

supporting information, p. 8659 - 8663 (2014/08/18)

Regio- and stereoselective oxidative hydroxylation of achiral or chiral organic compounds mediated by synthetic reagents, catalysts, or enzymes generally leads to the formation of one new chiral center that appears in the respective enantiomeric or diastereomeric alcohols. By contrast, when subjecting appropriate achiral compounds to this type of C-H activation, the simultaneous creation of two chiral centers with a defined relative and absolute configuration may result, provided that control of the regio-, diastereo-, and enantioselectivity is ensured. The present study demonstrates that such control is possible by using wild type or mutant forms of the monooxygenase cytochrome P450 BM3 as catalysts in the oxidative hydroxylation of methylcyclohexane and seven other monosubstituted cyclohexane derivatives.

Enzymatic preparation of (1S,2R)- and (1R,2S)-stereoisomers of 2-halocycloalkanols

Kolodiazhna, Olga O.,Kolodiazhna, Anastasy O.,Kolodiazhnyi, Oleg I.

, p. 37 - 42 (2013/02/25)

The stereoisomers of cis-2-halocycloalkanols were resolved by a kinetically controlled transesterification with vinyl acetate in the presence of lipases in organic media. High enantioselectivities (ee >98%) and good isolated yields were obtained for all substrates using the appropriate lipase. Burkholderia cepacia lipase was the most efficient enzyme for the resolution of these substrates. The enantiomeric purities of the compounds were defined by derivatization with Mosher's acid and the absolute configurations were determined by chemical correlation.

H2TPP organocatalysis in mild and highly regioselective ring opening of epoxides to halo alcohols by means of halogen elements

Torabi, Parviz,Azizian, Javad,Zomorodbakhsh, Shahab

experimental part, p. 5508 - 5519 (2012/08/28)

We found that elemental iodine and bromine are converted to trihalide nucleophiles (triiodine and tribromide anion, respectively) in the presence of catalytic amounts of meso-tetraphenylporphyrins (H2TPP). Therefore a highly regioselective method for the synthesis of β-haloalcohols through direct ring opening of epoxides with elemental iodine and bromine in the presence of H2TPPs as new catalysts is described. At room temperature a series of epoxide derivatives were converted into the corresponding halohydrins resulting from an attack of trihalide species anion atoms at the less substituted carbon atom. This method occurs under neutral and mild conditions with high yields in various aprotic solvents, even when sensitive functional groups are present.

Regio-and stereoselective hydroxybromination and dibromination of olefins using ammonium bromide and oxone

MacHarla, Arun Kumar,Chozhiyath Nappunni, Rohitha,Nama, Narender

supporting information; experimental part, p. 1401 - 1405 (2012/04/04)

An efficient protocol for the synthesis of vicinal bromohydrins and dibromides from olefins is presented. Various olefins are regio-and stereoselectively hydroxybrominated and dibrominated with anti fashion, following Markonikov's rule, using eco-friendly, non-toxic, and stable reagents such as NH4Br and oxone in CH3CN/H2O (1:1) and CH3CN without employing catalyst in moderate to excellent yields. Bromohydrins are formed instantaneously.

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