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1-Bromo-3-methyl-1-pentyn-3-ol is a chemical compound with the molecular formula C6H9BrO. It is an organic molecule that features a bromine atom, a methyl group, and a hydroxyl group attached to a pentyn-3-ol backbone. 1-Bromo-3-methyl-1-pentyn-3-ol is characterized by its unique structure, which includes a triple bond between the first and second carbon atoms, and a single bond between the third and fourth carbon atoms. The presence of the bromine atom and the hydroxyl group at the terminal carbon atom gives 1-Bromo-3-methyl-1-pentyn-3-ol specific chemical properties and reactivity. It is used in various chemical reactions and can be found in research and industrial applications, particularly in the synthesis of more complex organic molecules.

2028-52-6

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2028-52-6 Usage

Physical state

Colorless liquid

Uses

a. Reagent in organic synthesis
b. Specialty chemical applications

Chemical reactions

a. Substitution reactions
b. Addition reactions

Versatility

Valuable component in the production of pharmaceuticals, agrochemicals, and other fine chemicals

Safety

Toxic and hazardous if not properly managed and disposed of

Check Digit Verification of cas no

The CAS Registry Mumber 2028-52-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,0,2 and 8 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 2028-52:
(6*2)+(5*0)+(4*2)+(3*8)+(2*5)+(1*2)=56
56 % 10 = 6
So 2028-52-6 is a valid CAS Registry Number.
InChI:InChI=1/C6H9BrO/c1-3-6(2,8)4-5-7/h8H,3H2,1-2H3

2028-52-6SDS

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 1-bromo-3-methylpent-1-yn-3-ol

1.2 Other means of identification

Product number -
Other names 2-Bromoethynyl-2-butanol

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:2028-52-6 SDS

2028-52-6Upstream product

2028-52-6Relevant academic research and scientific papers

Synthesis of α-Acyloxy-α′-hydroxy Ketones via Cyclic Carbonate Intermediates Generated from Tertiary Bromopropargylic Alcohols and Cs2CO3

Shemyakina, Olesya A.,Volostnykh, Ol'ga G.,Stepanov, Anton V.,Ushakov, Igor' A.

supporting information, p. 7117 - 7121 (2019/11/16)

A facile approach towards α-acyloxy-α′-hydroxy ketones by reaction of readily available tertiary bromopropargylic alcohols and carboxylic acids in system Cs2CO3/H2O/DMF (50–55 °C, 4 h) was developed. Key intermediates of this synthesis are cyclic carbonates generated in situ from bromopropargylic alcohols and Cs2CO3 which have been utilized as both reagent and base promoter.

A domino reaction of α,β-acetylenic λ-hydroxy nitriles with arenecarboxylic acids: An unexpected facile shortcut to 4-cyano-3(2 H)-furanones

Trofimov, Boris A.,Shemyakina, Olesya A.,Malkina, Anastasiya G.,Ushakov, Igor A.,Kazheva, Olga N.,Alexandrov, Grigorii G.,Dyachenko, Oleg A.

scheme or table, p. 3200 - 3203 (2010/10/03)

(Figure Presented) An unexpected facile domino reaction of α,β-acetylenic λ-hydroxy nitriles with arenecarboxylic acids (Et3N, MeCN, 20-25 °C, 48 h) affords 4-cyano-3(2H)-furanones in 67-86% yield. The reaction is triggered by the addition of a

Chemo-and regiospecific modification of D,L-tryptophan by reaction with α,β-acetylenic γ-hydroxy nitriles

Trofimov, Boris A.,Malkina, Anastasiya G.,Borisova, Angela P.,Shemyakina, Olesya A.,Nosyreva, Valentina V.,Albanov, Alexander I.

scheme or table, p. 3174 - 3178 (2010/10/21)

D,L-Tryptophan reacts with α,β-acetylenic γ-hydroxy nitriles, chemo-and regiospecifically, under mild, green conditions via a hydroamination-type process involving the primary amine group. The hydroxycyanopropanyl substituent of the initial adducts underg

VITAMIN D ANALOGUES, COMPOSITIONS COMPRISING SAID ANALOGUES AND THEIR USE

-

Page 34, (2010/02/06)

Compounds according to formula I: in which formula R1 and R2, which may be the same or different, represent halogen, (C1-C6) hydrocarbyl, optionally substituted with one or two hydroxyl group on one or more fluorine atoms, or, together with the carbon atom to which they are both attached, R1 and R2 form a (C3-C6)carbocyclic ring, or one of R1 and R2 taken together with R3 forms a direct bond, such that a triple bond is constituted, or R1 and R2 represent both hydrogen; R3 when not forming a direct bond with one of R1 and R2 represents hydrogen or (C1-C3)hydrocarbyl; X represents (E)-ethylene, (Z)-ethylene, ethynylene, or a bond; Y and Z independently represent hydrogen or methyl; the bond between C#16 and C#17 is depicted with a dotted line to illustrate that said bond may be either a single bond, in which case the projection of the ring substituents is beta, or a double bond; A represents hydroxyl, fluorine or hydrogen; B represents CH2 or H2; the configuration is the 3-position corresponds to the same configuration as in natural vitamine D3 (normal), or the configuration in the configuration in the 3-position is opposite to that of natural vitamin D3(epi); with the proviso that when X represents (E)-ethylene or (Z)-ethylene, one of R1 and R2 taken together with R3 may not form a direct bond, such that a triple bond is constituted; with the further proviso that when X represents a bond R1 ands R2 are nor hydrogen; with the further proviso that the compound of formula I is not 3(S)-hyroxy-9, 10-secocholesta-5(Z),7(E),10(19),22(E),24-penta-ene; and prodrugs and stereo isomeric forms thereof are provided together with their use in therapy, and their use in the manufacture of medicaments.

1-Halo-1-acceptor-/1,1-diacceptor-substituted allenes, 9: Functionalized allenes, haloallenes, and bisallenes via [2,3]/[3,3]-sigmatropic rearrangements and their reactivity

Saalfrank, Rolf W.,Welch, Andreas,Haubner, Martin,Bauer, Udo

, p. 171 - 181 (2007/10/03)

Reaction of carbonyl compounds 1 with trimethylsilylacetylene 2 leads to the alkynols 3, which are excellent precursors of acceptor-substituted allenes. Compound 3 reacts with carbamoyl chloride 4, diethyl chlorophosphate 6, or hypohalite 8 to give the substituted alkynols 5, 7, 9. Reaction of 9 with sulfinyl chloride 10 leads to the sulfinic esters 11, which on heating undergo a [2,3]-sigmatropic shift to yield the halosulfonyl allenes 12. In the same manner the reaction of 7 and 9 with chlorophosphanes 13 or sulfenyl chlorides 15 gives rise to the generation of the phosphoryl allenes 14 and the haloallenyl sulfoxides 16, respectively. Alkynyl ketene acetal intermediates 18 are formed by starting from the alkynols 9 and orthoesters 17. Spontaneous [3,3]-sigmatropic rearrangement of 18 gives the haloallenyl esters 19. Reaction of alkynols 5 with sulfur dichloride leads to the alkynylsulfinyl esters 20, which on heating rearrange to the bisallenyl sulfones 21. Pyrolysis of 21 yields the thiophene 1,1-dioxides 22. Bisphosphorylbisallene 24 is synthesized from hexadiyndiol 23 by reaction with chlorodiethoxyphosphite. Halophosphoryl allenes 14 react with bromine to yield the oxaphospholenes 25 by cyclization and subsequent elimination of ethanol, or oxaphospholenes 26, if no appropriate leaving group is present in the molecule. Sulfonyl-1,3-dienes 27 can be synthesized by reaction of halosulfonylallenes 12 with bromine, followed by elimination of HBr. Haloallenyl ester 19a is converted in a non-generalizable reaction with bromine into the tribromo3,6-dihydro-2-pyranone 30. VCH Verlagsgesellschaft mbH, 1996.

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