78629-20-6

Basic information

• Product Name: 6,6-Dimethyl-1-hepten-4-yn-3-ol
• Synonyms: 3-HYDROXY-6,6-DIMETHYL-1-HEPTEN-4-YNE;3-HYDROXY-6,6-DIMETHYL-1-HEPTENE-4-YNE;6,6-dimethylhept-1-ene-4-yne-3-ol;6,6-DIMETHYL-1-HEPTEN-4-YN-3-OL;TIMTEC-BB SBB008761;6,6-Dimethyll-1-Heptane-4-Yn-3-Ol;6,6-Dimethyl-1-heptene-4-yn-3-ol;6,6-DiMethyl-1-hepte
• CAS NO: 78629-20-6
• Molecular Formula: C₉H₁₄O
• Molecular Weight: 138.21
• Mol File: 78629-20-6.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 187°C
• Flash Point: 73°C
• Appearance: /
• Density: 0.900
• Vapor Pressure: 0.178mmHg at 25°C
• Refractive Index: 1.472
• PKA: 12.22±0.20(Predicted)
• CAS DataBase Reference: 6,6-Dimethyl-1-hepten-4-yn-3-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 6,6-Dimethyl-1-hepten-4-yn-3-ol(78629-20-6)
• EPA Substance Registry System: 6,6-Dimethyl-1-hepten-4-yn-3-ol(78629-20-6)

Safety Data

• Hazardous Substances Data: 78629-20-6(Hazardous Substances Data)

Usage

Chemical Properties

Colorless or pale yellow liquid

InChI:InChI=1/C9H14O/c1-5-8(10)6-7-9(2,3)4/h5,8,10H,1H2,2-4H3

Upstream product

• 917-92-0 3,3-Dimethylbut-1-yne 
• 107-02-8 acrolein 
• 106-94-5 propyl bromide 
• 100-58-3 phenylmagnesium bromide 
• 74-96-4 ethyl bromide 

Downstream Products

• 91161-71-6 terbinafin 
• 78628-81-6 (Z)-N-(6,6-dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalenemethanamine 
• 126764-17-8 1-chloro-6,6-dimethyl-2-hepten-4-yne 
• 78628-80-5 terbinafine hydrochloride 
• 287471-30-1 1-chloro-6,6-dimethyl-hept-2-ene-4-yn 
• 78629-21-7 (E)-6,6-dimethyl-2-hepten-4-ynyl bromide 
• 635708-74-6 (Z)-1-chloro-6,6-dimethylhept-2-en-4-yne 
• 78629-19-3 cis-1-bromo-6,6-dimethyl-2-hepten-4-yne 

Relevant articles and documents

Silica gel-mediated rearrangement of allylic acetates. Application to the synthesis of 1,3-enynes

Silica gel was found to efficiently promote the rearrangement of allylic acetates into their most stable regioisomers under microwave irradiation. The reaction is easy to perform and eco-friendly. This method was applied to the metal-free synthesis of 1,3-enynes.

IMPROVED PROCESS FOR THE PREPARATION OF TERBINAFINE HYDROCHLORIDE AND NOVEL CRYSTALLINE FORM OF TERBINAFINE

Improved process for the preparation of Terbinafme Hydrochloride compound of formula (I): substantially free of Genotoxic impurity compound of formula (II) and Novel crystalline form of Terbinafine.

AN IMPROVED PROCESS FOR THE PREPARATION OF TERBINAFINE HYDROCHLORIDE

The present invention relates to an improved process for preparation of terbinafine hydrochloride ,which is (E) - N- Methyl -N-(1-Naphtylmethyl)-6,6-dimethylhept-2-ene-4-ynyl-1-amine has the formula (I), which comprises reacting t-butylacetylene with ethylmagnesium bromide in THF (ii) adding acrolein at a temperature in the range of 0-10o C to get , 6,6-dimethyl-hept-1-ene-4-yne-3-ol, (iii) reacting it with a mixture of phosphorous oxychloride and hydrochloric acid in methanol (iv) extracting the reaction mass with aliphatic/aromatic solvent and removing the solvent (v) reacting the residue with N-(1-naphtylmethyl)methyl amine in the presence of a base to give Terbinafine (vi) adding hydrochloric acid and extracting the Terbinafine Hcl formed with a chlorinated solvent and (vii) recovering the chlorinated solvent under vacuum and adding ethylacetate to separate Terninafine hydrochloride which is filtered and dried.