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1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE

CAS No.
287471-30-1
Chemical Name:
1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE
Synonyms
Terbinafine Impurity 45;Terbinafine Impurity 22;1-Chloro-6,6-dimethyl-2-hepten-4-yne;2-HEPTEN-4-YNE,1-CHLORO-6,6-DIMETHYL;1-Chloro-6,6-dimethyl-2-hepten-4-ino;(E)-1-chloro-6,6-diMethylhept-2-en-4-yne;(2E)-1-chloro-6,6-dimethylhept-2-en-4-yne;1-CHLORO-6,6-DIMETHYL-2-ENE-4-YNE-HEPTANE;2-HEPTEN-4-YNE, 1-CHLORO-6,6-DIMETHYL-, (2E)-
CBNumber:
CB0198486
Molecular Formula:
C9H13Cl
Molecular Weight:
156.65
MDL Number:
MFCD04039160
MOL File:
287471-30-1.mol
MSDS File:
SDS
Last updated:2026-05-27 22:29:58
Product description Number Pack Size Price
(2E)-1-Chloro-6,6-dimethyl-2-hepten-4-yne 95% AA002W97 25g $12
(2E)-1-Chloro-6,6-dimethyl-2-hepten-4-yne 95% AA002W97 100g $38
(2E)-1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE 95.00% HCH0036879 25G $1404.36
More product size

1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE Properties

Boiling point 207.5±23.0 °C(Predicted)
Density 0.946±0.06 g/cm3(Predicted)
storage temp. Inert atmosphere, 2-8°C
InChI InChI=1S/C9H13Cl/c1-9(2,3)7-5-4-6-8-10/h4,6H,8H2,1-3H3/b6-4+
InChIKey ZIXABMZBMHDFEZ-GQCTYLIASA-N
SMILES C(Cl)/C=C/C#CC(C)(C)C
CAS DataBase Reference 287471-30-1(CAS DataBase Reference)

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE price

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
aablocks AA002W97 (2E)-1-Chloro-6,6-dimethyl-2-hepten-4-yne 95% 287471-30-1 25g $12 2026-05-28 Buy
aablocks AA002W97 (2E)-1-Chloro-6,6-dimethyl-2-hepten-4-yne 95% 287471-30-1 100g $38 2026-05-28 Buy
American Custom Chemicals Corporation HCH0036879 (2E)-1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE 95.00% 287471-30-1 25G $1404.36 2021-12-16 Buy
Product number Packaging Price Buy
AA002W97 25g $12 Buy
AA002W97 100g $38 Buy
HCH0036879 25G $1404.36 Buy

1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE Chemical Properties,Uses,Production

Description

1-Chloro-6,6-dimethyl-2-hepten-4-yne is the allylamine antifungal agents terbinafine intermediate.1-Chloro-6,6-dimethyl-2-hepten-4-yne choose to inhibit COX-fungal squalene, so that reduction of membrane ergosterol, thus inhibiting the growth of fungi play an inhibitory role; right ergosterol synthesis of precursors and no inhibitory effect on other stages.

Uses

1-Chloro-6,6-dimethyl-2-heptene-4-yne is a hydrocarbon derivative and can be used as a pharmaceutical intermediate.

Application

1-Chloro-6,6-dimethyl-2-hepten-4-yne is a chlorinating agent that has been used to minimise hydrochloric acid by converting it to chloride. It is also used in the chlorination of magnesium and other metals. 1-Chloro-6,6-dimethyl-2-hepten-4-yne has been shown to be an effective antifungal agent against dermatophytes such as Trichophyton rubrum and Microsporum canis. The compound is toxic to humans and animals because it produces acrolein and terbinafine during chlorination. It also produces hydrochloric acid as a by-product of chlorination.

Synthesis

1-Chloro-6,6-dimethyl-2-hepten-4-yne mainly due to keratin aggregation produce squalene, was squalene cyclooxygenase inhibition, squalene in the cells of a large number gathered in the form of lipid droplets penetrate fungal cell membrane, destruction of the membrane lipid composition, resulting in fungal death. A typical procedure for preparing of 1-chloro-6,6-dimethyl-2-hepten-4-yne using boron trichloride is as follows: Compound 1 (53 g, 0.38 mol) in 2800 mL of n-hexane was cooled to 1015. Boron trichloride (1 M in hexane, 480 mL, 0.48 mol) was added to the mixture at 1520 over a 10 min period. After 10 min of stirring at 20, the mixture was quenched with 1000 mL of water and stirred for 10 min. The separated organic phase was washed with 20% NaCl, dried (MgSO4), and evaporated to afford the title compound 2 (57.1 g, 95%) in 9:1 E:Z ratio.Synthesis_287471-30-1

1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE Preparation Products And Raw materials

Raw materials

Preparation Products

Global( 163)Suppliers
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shandong perfect biotechnology co.ltd
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View Lastest Price from 1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE pictures 2026-03-27 1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE
287471-30-1
1kg 99% HPLC 100 kgs shandong perfect biotechnology co.ltd
1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE pictures 2021-08-12 1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE
287471-30-1
$10.00-15.00 1KG 99%+ HPLC Zhuozhou Wenxi import and Export Co., Ltd
	1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE pictures 2019-07-06 1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE
287471-30-1
$7.00 1kg 99% 100KG Career Henan Chemical Co
2-HEPTEN-4-YNE, 1-CHLORO-6,6-DIMETHYL-, (2E)- 1-CHLORO-6,6-DIMETHYL-2-ENE-4-YNE-HEPTANE 1-Chloro-6,6-dimethyl-2-hepten-4-ino 2-HEPTEN-4-YNE,1-CHLORO-6,6-DIMETHYL 1-Chloro-6,6-dimethyl-2-hepten-4-yne (E)-1-chloro-6,6-diMethylhept-2-en-4-yne (2E)-1-chloro-6,6-dimethylhept-2-en-4-yne Terbinafine Impurity 22 Terbinafine Impurity 45 287471-30-1 Chemical intermediate for Terbinafine