83554-69-2

Basic information

• Product Name: 1-Chloro-6,6-dimethyl-2-heptene-4-yne
• Synonyms: 2-HEPTEN-4-YNE, 1-CHLORO-6,6-DIMETHYL-, (2E)-;1-CHLORO-6,6-DIMETHYL-2-HEPTENE-4-YNE;1-CHLORO-6,6-DIMETHYL-2-ENE-4-YNE-HEPTANE;1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE (CIS/TRANS);1-CHLORO-6,6-DIMETHYL-2-HEPTENE-4-YNE 70%;1-CHLORO-6,6-DIMETHYL-2-HEPTEN-4-YNE, CIS + TRANS, TECH. 90%;N-METHYL-1-NAFTYLMETHYLAMINE;2-Hepten-4-yn-1-aMine,N,6,6-triMethyl-, (2E)-
• CAS NO: 83554-69-2
• Molecular Formula: C₁₀H₁₇N
• Molecular Weight: 156.65
• Product Categories: INTERMEDIATESOFTERBINAFINE;Terbinafine
• Mol File: 83554-69-2.mol
• Article Data: 5

Chemical Properties

• Melting Point: 163-166 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
• Boiling Point: 207.5 °C at 760 mmHg
• Flash Point: 74.7 °C
• Appearance: /
• Density: 0.946 g/cm³
• Vapor Pressure: 0.324mmHg at 25°C
• Refractive Index: 1.475
• PKA: 8.63±0.10(Predicted)
• CAS DataBase Reference: 1-Chloro-6,6-dimethyl-2-heptene-4-yne(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Chloro-6,6-dimethyl-2-heptene-4-yne(83554-69-2)
• EPA Substance Registry System: 1-Chloro-6,6-dimethyl-2-heptene-4-yne(83554-69-2)

Safety Data

• Hazardous Substances Data: 83554-69-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H13Cl/c1-9(2,3)7-5-4-6-8-10/h4,6H,8H2,1-3H3/b6-4+

Upstream product

• 78629-21-7 (E)-6,6-dimethyl-2-hepten-4-ynyl bromide 
• 135679-65-1 (E)-N-(2,4-dimethoxybenzyl)-N,6,6-trimethyl-2-hepten-4-ynamine 
• 126764-15-6 (E/Z)-1-bromo-6,6-dimethylhept-2-ene-4-yne 
• 74-89-5 methylamine 
• 135679-76-4 (E)-N-trifluoroacetyl-N,6,6-trimethyl-2-hepten-4-ynamine 

Downstream Products

• 216871-57-7 trans-N-(6,6-dimethyl-2-hepten-4-ynyl)-N-methyl-(2-bromobenzyl)amine 
• 216870-30-3 Trans-3'-[N-(6,6-dimethyl-2-hepten-4-ynyl)-N-methylaminomethyl]acetophenone 
• 216871-10-2 Trans-3'-[N-(6,6-dimethyl-2-hepten-4-ynyl)-N-methylaminomethyl]propiophenone 

Relevant articles and documents

Antifungal amine derivatives and processing for producing the same

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.

Synthesis and Structure-Activity Relationship of Benzothienylallylamine Antimycotics

Benzothiophene analogues of the allylamine antimycotic terbinafine (2) bearing the side chain at various positions and optionally substituted by halogen have been prepared and their antifungal activity studied.Derivatives bearing the side chain at positions 3, 4, or 7 are bioequivalents of 2.Compounds containing the allylamine side chain at position 7, with a further substituent at position 3, showed significantly enhanced activity against Candida albicans, an effect which appears to be specifically linked only to this particular substitution pattern. 3-Chloro-7-benzothienyl derivative 7m was found to be the most potent allylamine antimycotic identified so far.In general, substituted benzothiophenes can be used not only as potential equivalents of naphthalene in bioactive compoudns but also as a tool to selectively modify biological activities.

Benzopyrane and benzothiopyrane derivatives useful as anti-mycotic agents

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