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2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol, with the chemical formula C10H6BrF6O, is a halogenated alcohol characterized by the presence of a hexafluoropropan-2-ol group and a 4-(bromomethyl)phenyl moiety. 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is a versatile building block in organic synthesis and chemical reactions, owing to the reactivity of its bromomethyl group which allows for further functionalization. Its unique structure, featuring both bromine and fluorine atoms, endows it with specific properties that can be exploited in various applications, although it requires careful handling due to the presence of these potentially reactive halogens.

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  • 202134-57-4 Structure
  • Basic information

    1. Product Name: 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
    2. Synonyms: 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(Hexafluoro-2-hydroxyisopropyl)benzyl bromide;4-(2-Hydroxyperfluoroprop-2-yl)benzyl bromide;4-(1,1,1,3,3,3-Hexafluoro-2-hydroxyprop-2-yl)]benzyl bromide, 1-(Bromomethyl)-4-[perfluoro(2-hydroxyprop-2-yl)]benzene;4-(1,1,1,3,3,3-Hexafluoro-2-hydroxyprop-2-yl)]benzyl bromide, alpha,alpha-Bis(trifluoromethyl)-4-(bromomethyl)benzyl alcohol;2-[4-(Bromomethyl)phenyl]hexafluoropropan-2-ol;Benzenemethanol,4-(bromomethyl)-a,a-bis(trifluoromethyl)-
    3. CAS NO:202134-57-4
    4. Molecular Formula: C10H7BrF6O
    5. Molecular Weight: 337.07
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 202134-57-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 300.2±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.690±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 9.10±0.15(Predicted)
    10. Sensitive: Lachrymatory
    11. CAS DataBase Reference: 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol(202134-57-4)
    13. EPA Substance Registry System: 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol(202134-57-4)
  • Safety Data

    1. Hazard Codes: C,T
    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: 202134-57-4(Hazardous Substances Data)

202134-57-4 Usage

Uses

Used in Organic Synthesis:
2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is used as a building block for the synthesis of complex organic molecules, leveraging its reactive bromomethyl group for further functionalization and the unique properties conferred by the hexafluoropropan-2-ol and phenyl groups.
Used in Chemical Reactions:
In the chemical reactions industry, 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol serves as a reagent or intermediate, taking advantage of its halogenated alcohol nature to participate in various reaction types, including substitution, addition, and coupling reactions, to produce a range of desired organic compounds.
Used in Pharmaceutical Development:
2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is used as a starting material or intermediate in the development of pharmaceuticals, potentially leading to the creation of new drugs with unique mechanisms of action or improved pharmacokinetic properties, due to the compound's ability to be modified and incorporated into larger molecular frameworks.
Used in Material Science:
In the material science field, 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol may be utilized in the synthesis of novel materials with specific properties, such as polymers with tailored characteristics or new types of coatings and adhesives, by exploiting the compound's reactive and structural features.

Check Digit Verification of cas no

The CAS Registry Mumber 202134-57-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,0,2,1,3 and 4 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 202134-57:
(8*2)+(7*0)+(6*2)+(5*1)+(4*3)+(3*4)+(2*5)+(1*7)=74
74 % 10 = 4
So 202134-57-4 is a valid CAS Registry Number.

202134-57-4SDS

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 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

1.2 Other means of identification

Product number -
Other names 4-(Hexafluoro-2-hydroxyisopropyl)benzyl bromide

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:202134-57-4 SDS

202134-57-4Downstream Products

202134-57-4Relevant articles and documents

Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active RORγt Inverse Agonists

Duan, James J.-W.,Lu, Zhonghui,Jiang, Bin,Stachura, Sylwia,Weigelt, Carolyn A.,Sack, John S.,Khan, Javed,Ruzanov, Max,Galella, Michael A.,Wu, Dauh-Rurng,Yarde, Melissa,Shen, Ding-Ren,Shuster, David J.,Borowski, Virna,Xie, Jenny H.,Zhang, Lisa,Vanteru, Sridhar,Gupta, Arun Kumar,Mathur, Arvind,Zhao, Qihong,Foster, William,Salter-Cid, Luisa M.,Carter, Percy H.,Dhar, T. G. Murali

supporting information, p. 367 - 373 (2019/03/21)

A new phenyl (3-phenylpyrrolidin-3-yl)sulfone series of RORγt inverse agonists was discovered utilizing the binding conformation of previously reported bicyclic sulfonamide 1. Through a combination of structure-based design and structure-activity relationship studies, a polar set of amides at N1-position of the pyrrolidine ring and perfluoroisopropyl group at para-position of the 3-phenyl group were identified as critical structural elements to achieve high selectivity against PXR, LXRα, and LXRβ. Further optimization led to the discovery of (1R,4r)-4-((R)-3-((4-fluorophenyl)sulfonyl)-3-(4-(perfluoropropan-2-yl)phenyl)pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid (26), which displayed excellent selectivity, desirable liability and pharmacokinetic properties in vitro, and a good pharmacokinetic profile in mouse. Oral administration of 26 demonstrated dose-dependent inhibition of IL-17 production in a mouse IL-2/IL-23-induced pharmacodynamic model and biologic-like efficacy in an IL-23-induced mouse acanthosis model.

ROR GAMMA MODULATORS

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Page/Page column 101, (2018/05/27)

There are described ROR? modulators of the formula (I), or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising th

CARBOCYCLIC SULFONE RORγ MODULATORS

-

Page/Page column 52, (2015/07/16)

Described are RORγ modulators of the formula (I), or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.

HETEROCYCLIC SULFONE AS ROR-GAMMA MODULATORS

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Page/Page column 39-40, (2015/07/16)

Described are RORγ modulators of the formula (I), [INSERT CHEMICAL STRUCTURE HERE] or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.

PYRROLIDINYL SULFONE RORGAMMA MODULATORS

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Paragraph 0281-0282, (2015/07/15)

Described are RORγ modulators of the formula (I), or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.

ROR MODULATORS AND THEIR USES

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Paragraph 0085, (2013/11/19)

The invention relates to ROR modulators; compositions comprising an effective amount of a ROR modulator; and methods for treating or preventing diseases associated with ROR.

ROR MODULATORS AND THEIR USES

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Paragraph 0080; 0081, (2013/11/05)

The invention relates to ROR modulators; compositions comprising an effective amount of a ROR modulator; and methods for treating or preventing diseases associated with ROR. The invention is based in part on the discovery of ROR modulators which interact with RORa and/or RORy and thereby inhibit or induce RORa and/or RORy-activity, and RORa- and/or RORy-regulated target gene and protein expression.

ROR MODULATORS AND THEIR USES

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Paragraph 0090 - 0092, (2013/11/19)

The invention relates to ROR modulators; compositions comprising an effective amount of a ROR modulator; and methods for treating or preventing diseases associated with ROR.

N- (1, 1, 1, 3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) BENZYL-N' -ARYLCARBONYLPIPERAZ INE DERIVATIVES

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Page/Page column 25, (2009/12/23)

101 Abstract. The present invention relates tohexafluoroisopropanol derivativeshaving the general formula I X O N N Y OH F 3 C CF 3 A R 1 R 2 R 3 ( ) n W Z B R 6 5 Formula I to pharmaceutical compositions comprising the same and to the use of these hexafluoroisopropanol derivatives inthe treatment of atherosclerosis

Design and synthesis of heterocyclic malonyl-CoA decarboxylase inhibitors

Cheng, Jie-Fei,Chen, Mi,Liu, Bin,Hou, Zheng,Arrhenius, Thomas,Nadzan, Alex M.

, p. 695 - 700 (2007/10/03)

We have previously reported the discovery of small molecule inhibitors of malonyl-CoA decarboxylase (MCD) as novel metabolic modulators, which inhibited fatty acid oxidation and consequently increased the glucose oxidation rates in the isolated working ra

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