• Name

  1-Chloro-6,6-dimethyl-5-hept-2-en-4-ino

• EINECS 603-158-4
• CAS No. 126764-17-8
• Article Data2
• CAS DataBase
• Density 0.946 g/cm³
• Solubility
• Melting Point
• Formula C₉H₁₃Cl
• Boiling Point 207.5 °C at 760 mmHg
• Molecular Weight 156.655
• Flash Point 74.7 °C
• Transport Information
• Appearance
• Safety 26-37
• Risk Codes 36/37/38
• Molecular Structure
• Hazard Symbols Xi
• Synonyms 1-Chloro-6,6-dimethyl-2-hepten-4-yne;Terbinafine intermediate;1-chloro-6,6-dimethyl-2-heptyene-4-alkyne;1-chloro-6,6-dimethyl-2-hepten-4-yn;1-chloro-6,6-dimethyl-2-ene-4-yene-heptane;trans-1-chloro-6,6-dimethyl-2-heptene-4-yne;2-hepten-4-yne, 1-chloro-6,6-dimethyl-, (2e)-;
• PSA 0.00000
• LogP 2.83090

Synthetic route

78629-20-6

3-hydroxy-6,6-dimethylhept-1-ene-4-yne

126764-17-8

1-chloro-6,6-dimethyl-2-hepten-4-yne

Conditions

Conditions	Yield
With hydrogenchloride; trichlorophosphate In water; acetonitrile at 10 - 28℃; for 6.33333h;
With hydrogenchloride In water; acetonitrile at 0 - 20℃; for 9h;

126764-17-8

1-chloro-6,6-dimethyl-2-hepten-4-yne

65473-13-4

N-methyl-1-naphthalenemethylamine hydrochloride

78628-80-5

terbinafine hydrochloride

Conditions

Conditions	Yield
Stage #1: 1-chloro-6,6-dimethyl-2-hepten-4-yne; N-methyl-1-naphthalenemethylamine hydrochloride With sodium carbonate In water; N,N-dimethyl-formamide at 11 - 60℃; for 6.25h; Stage #2: With hydrogenchloride In water for 0.5h; pH=0.2;
Stage #1: 1-chloro-6,6-dimethyl-2-hepten-4-yne; N-methyl-1-naphthalenemethylamine hydrochloride With sodium carbonate In water; N,N-dimethyl-formamide at 10 - 75℃; for 6.75h; Stage #2: With hydrogenchloride In dichloromethane; water at 10 - 15℃; for 0.5h; Product distribution / selectivity;
Stage #1: 1-chloro-6,6-dimethyl-2-hepten-4-yne; N-methyl-1-naphthalenemethylamine hydrochloride With sodium carbonate In water at 10 - 75℃; for 6.75h; Stage #2: With hydrogenchloride In dichloromethane; water at 10 - 15℃; for 0.5h; Product distribution / selectivity;

126764-17-8

1-chloro-6,6-dimethyl-2-hepten-4-yne

14489-75-9

N-methyl-1-naphthalenemethylamine

78628-80-5

terbinafine hydrochloride

Conditions

Conditions	Yield
Stage #1: 1-chloro-6,6-dimethyl-2-hepten-4-yne; N-methyl-1-naphthalenemethylamine With sodium hydroxide In water at 20 - 100℃; for 2h; Stage #2: With hydrogenchloride In dichloromethane; water at 20℃; for 1h;

126764-17-8

1-chloro-6,6-dimethyl-2-hepten-4-yne

65473-13-4

N-methyl-1-naphthalenemethylamine hydrochloride

91161-71-6

terbinafin

Conditions

Conditions	Yield
With sodium carbonate In water at 10 - 75℃; for 6.75h; Product distribution / selectivity;
With sodium carbonate In water; N,N-dimethyl-formamide at 10 - 75℃; for 6.75h; Product distribution / selectivity;

126764-17-8

1-chloro-6,6-dimethyl-2-hepten-4-yne

608-05-9

5-methyl-indole-2,3-dione

A

1-[(R)-4,4-dimethyl-1-vinyl-2-pentynyl]-5-methyl-2,3-indolinedione

B

1-[(S)-4,4-dimethyl-1-vinyl-2-pentynyl]-5-methyl-2,3-indolinedione

Conditions

Conditions	Yield
With cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate; benzyl ((11bS)-2,6-bis(3,5-di(tert-butyl)-4-methoxyphenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphosphepin-4-yl)-L-prolinate; N-ethyl-N,N-diisopropylamine; carbonic acid dimethyl ester at 40℃; Sealed tube; Overall yield = 40 percent; Overall yield = 56 mg; enantioselective reaction;	A n/a B n/a

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1-Chloro-6,6-dimethyl-5-hept-2-en-4-ino Chemical Properties

1-Chloro-6,6-dimethyl-5-hept-2-en-4-ino Safety Profile

1-Chloro-6,6-dimethyl-5-hept-2-en-4-ino Specification