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(E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne, also known as 6,6-Dimethyl-3-oxo-1-bromohexa-2,4-diyne, is a chemical compound with the molecular formula C9H13Br. It is a colorless liquid that serves as a versatile building block in organic synthesis, characterized by its unique structure and reactivity.

78629-21-7

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78629-21-7 Usage

Uses

Used in Pharmaceutical Industry:
(E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne is used as a key building block for the creation of various drugs and medications. Its unique structure allows for the development of new pharmaceutical compounds with potential therapeutic benefits.
Used in Agrochemical Production:
In the agrochemical industry, (E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne is used as a precursor in the synthesis of various agrochemicals. Its reactivity and versatility enable the production of effective compounds for crop protection and pest control.
Used in Fragrance Industry:
(E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne is utilized as a starting material in the production of fragrances. Its unique chemical properties contribute to the creation of novel and complex scents for various applications, such as perfumes, cosmetics, and air fresheners.
Used in Organic Chemistry as a Reagent:
(E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne has potential applications as a reagent in organic chemistry. Its reactivity allows for various chemical transformations, making it a valuable tool for researchers and chemists in the development of new organic compounds and reactions.
Used in Fine Chemicals Production:
As a key ingredient in the production of fine chemicals, (E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne contributes to the synthesis of high-quality specialty chemicals used in various industries, such as pharmaceuticals, cosmetics, and materials science. Its versatility and unique properties make it an essential component in the manufacturing process.

Check Digit Verification of cas no

The CAS Registry Mumber 78629-21-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,8,6,2 and 9 respectively; the second part has 2 digits, 2 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 78629-21:
(7*7)+(6*8)+(5*6)+(4*2)+(3*9)+(2*2)+(1*1)=167
167 % 10 = 7
So 78629-21-7 is a valid CAS Registry Number.
InChI:InChI=1/C9H13Br/c1-9(2,3)7-5-4-6-8-10/h4,6H,8H2,1-3H3

78629-21-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name (E)-1-bromo-6,6-dimethylhept-2-en-4-yne

1.2 Other means of identification

Product number -
Other names 1-bromo-6,6-dimethyl-2-heptene-4-yne

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:78629-21-7 SDS

78629-21-7Relevant academic research and scientific papers

Antifungal amine derivatives and processing for producing the same

-

, (2008/06/13)

Novel amine derivatives having an excellent antimycotic effect represented by general formula (1) below and salts thereof are provided. [in the formula (1, R1represents a C1-5alkyl group which may be halogenated, R2represents 4-(1,1-dimethylalkyl)benzyl group, 4-(1-methyl-phenylethyl)benzyl group, 1-or 2-naphthylmethyl group, or a hydrocarbon group having 3,3-dimethyl-1-butynyl group or a phenyl group at its terminal and 1 to 3 double bonds; R3represents oxygen atom or a methylene group which may be substituted by a C1-4alkyl group; and R4represents 1-or 2 naphthyl group or a phenyl group which may be substituted.

A stereoselective synthesis of (E)-1-halo-6,6-dimethyl-2-hepten-4-yne: A key intermediate for terbinafine

Chou, Shan-Yen,Tseng, Chin-Lu,Chen, Shyh-Fong

, p. 3895 - 3898 (2007/10/03)

A study of the stereoselective halogenation of 6,6-dimethyl-1-hepten-4- yn-3-ol (1) using a series of halogenating agents is described. Of the many agents investigated, boron trichloride is the most successful reagent for stereoselective halogenation (E:Z=9:1(max)). The resulting (E)-1-halo-6,6- dimethyl-2-hepten-4-yne (2), a key intermediate for terbinafine, an antifungal agent, is obtained in good yield and stereoselectivity. Two structurally related enyne alcohols have been studied likewise and shown similar versatility. (C) 2000 Elsevier Science Ltd.

Propenylamines, pharmaceutical compositions containing them and their use as pharmaceuticals

-

, (2008/06/13)

A compound of the formula: STR1 wherein the double bond is in the trans configuration and R1 is a radical of formula IIa, STR2 R2, R3, R5, R7 and R8 are each hydrogen, R4 is methyl, and R6 is a radical of formula IIIa where R11 is n-butyl, tertiary butyl or phenyl or a chemotherapeutically acceptable acid addition salt thereof; processes for their production, their use as pharmaceuticals and pharmaceutical compositions containing them.

Synthesis and Antifungal Activity of (E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalenemethanamine (SF 86-327) and Related Allylamine Derivatives with Enhanced Oral Activity

Stuetz, Anton,Petranyi, Gabor

, p. 1539 - 1543 (2007/10/02)

The allylamine derivatives are a new class of synthetic antifungal agents inhibiting fungal squalene epoxidase.A new subclass, which features an acetylene group conjugated with the allylamine double bond, is characterized by enhanced antifungal activity, especially on oral treatment of guinea pig dermatophytoses.Increased branching of the alkyl group next to the triple bond led to the tert-butylacetylene derivative SF 86-327, a compound with strikingly increased activity in vitro and in vivo, which is now under clinical evaluation.Versatile synthetic routes, comparative biological data, and structure-activity relationship are presented.

Benzopyrane and benzothiopyrane derivatives useful as anti-mycotic agents

-

, (2008/06/13)

Benzopyrane and benzothiopyrane derivatives which possess pharmaceutical in particular anti-mycotic activity.

THE STRUCTURE OF SAFFLOMIN-A, A COMPONENT OF SAFFLOWER YELLOW

Onodera, Jun-ichi,Obara, Heitaro,Osone, Masahide,Maruyama, Yasunobu,Sato, Shingo

, p. 433 - 436 (2007/10/02)

The structure of safflomin-A, a yellow component of the flowers of Safflower (Carthamus tinctorius L.), was investigated.

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