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126764-17-8

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Basic Information
CAS No.: 126764-17-8
Name: 1-Chloro-6,6-dimethyl-5-hept-2-en-4-ino
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 126764-17-8 (1-Chloro-6,6-dimethyl-5-hept-2-en-4-ino)
Formula: C9H13Cl
Molecular Weight: 156.655
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)-;
EINECS: 603-158-4
Density: 0.946 g/cm3
Boiling Point: 207.5 °C at 760 mmHg
Flash Point: 74.7 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37
PSA: 0.00000
LogP: 2.83090
Related products
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
...Expand
Raw Materials
78629-20-6
Downstream Products
78628-80-5
91161-71-6
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Chemistry

Molecular Structure of 2-Hepten-4-yne,1-chloro-6,6-dimethyl- (CAS NO.126764-17-8):

Empirical Formula: C9H13Cl
Molecular Weight: 156.6525
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 2
Index of Refraction: 1.475
Molar Refractivity: 46.62 cm3
Molar Volume: 165.4 cm3
Surface Tension: 30.5 dyne/cm
Density: 0.946 g/cm3
Flash Point: 74.7 °C
Enthalpy of Vaporization: 42.56 kJ/mol
Boiling Point: 207.5 °C at 760 mmHg
Vapour Pressure: 0.324 mmHg at 25°C
Product Categories: (intermediate of terbinafine HCl)

Safety Profile

Hazard Codes: IrritantXi
Hazard Note: Irritant

Specification

  2-Hepten-4-yne,1-chloro-6,6-dimethyl- , with CAS number of 126764-17-8, can be called 1-Chloro-6,6-dimethyl-2-ene-4-yne-heptane ; 1-chloro-6,6-dimethyl-2-hepten-4-yne ; 2-hepten-4-yne, 1-chloro-6,6-dimethyl-, (2e)- ; trans-1-chloro-6,6-dimethyl-2-heptene-4-yne ; 1-chloro-6,6-dimethyl-2-ene-4-yene-heptane ; 1-chloro-6,6-dimethyl-2-hepten-4-yn ; 1-chloro-6,6-dimethyl-2-heptyene-4-alkyne ; Terbinafine intermediate .

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