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Name	Heptane,2,2,6,6-tetramethyl-4-methylene-	EINECS	205-495-9
CAS No.	141-70-8	Density	0.759 g/cm³
PSA	0.00000	LogP	4.41500
Solubility	N/A	Melting Point	-1.6°C
Formula	C₁₂H₂₄	Boiling Point	190.9 °C at 760 mmHg
Molecular Weight	168.323	Flash Point	56.7 °C
Transport Information	N/A	Appearance	Clear liquid
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	Xi
Synonyms	1-Pentene,4,4-dimethyl-2-neopentyl- (6CI,7CI,8CI);Ethylene, 1,1-dineopentyl- (4CI);1,1-Dineopentylethylene;2,2,6,6-Tetramethyl-4-methyleneheptane;2-Neopentyl-4,4-dimethyl-1-pentene;4,4-Dimethyl-2-neopentyl-1-pentene;	Article Data	13

Heptane,2,2,6,6-tetramethyl-4-methylene- Synthetic route

: 107-39-1
2,4,4-trimethyl-1-pentene

: 141-70-8
1,1-dineopentylethylene

Conditions

Conditions	Yield
beim Beschuss mit schnellen Elektronen bei 60grad;

: 353-61-7
tert-butylfluoride

A: 141-70-8
1,1-dineopentylethylene

B: 27656-49-1
trans-2,2,4,6,6-pentamethyl-3-heptene

Conditions

Conditions	Yield
With phosphorus pentafluoride for 48h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
With phosphorus pentafluoride for 48h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

: 61916-03-8
Difluor-N-trimethylsilyl-N-tert-butylaminophosphin

A: 141-70-8
1,1-dineopentylethylene

B: 420-56-4
trimethylsilyl fluoride

C: 27656-49-1
trans-2,2,4,6,6-pentamethyl-3-heptene

D: 29215-37-0
t-butylaminodifluorophosphine

E: tert-butylammonium hexafluorophosphate

Conditions

Conditions	Yield
With phosphorus pentafluoride for 96h; Product distribution; Mechanism; Ambient temperature; different reagent, time; also studies with other educt;

...Expand

: tert-Butyl-(2,2-difluoro-4,5-bis-trifluoromethyl-2λ5-[1,3,2]dioxaphospholan-2-yl)-amine

A: 141-70-8
1,1-dineopentylethylene

B: 420-56-4
trimethylsilyl fluoride

C: tert-butylammonium hexafluorophosphate

D: 2,2,2-Trifluoro-4,5-bis-trifluoromethyl-2λ5-[1,3,2]dioxaphospholane

Conditions

Conditions	Yield
With phosphorus pentafluoride for 96h; Ambient temperature; Further byproducts given. Yields of byproduct given;
With phosphorus pentafluoride for 96h; Ambient temperature; Yield given. Further byproducts given. Yields of byproduct given;

: tert-Butyl-(2,2-difluoro-4,5-bis-trifluoromethyl-2λ5-[1,3,2]dioxaphospholan-2-yl)-amine

A: 141-70-8
1,1-dineopentylethylene

B: 27656-49-1
trans-2,2,4,6,6-pentamethyl-3-heptene

C: tert-butylammonium hexafluorophosphate

D: 2,2,2-Trifluoro-4,5-bis-trifluoromethyl-2λ5-[1,3,2]dioxaphospholane

Conditions

Conditions	Yield
With phosphorus pentafluoride for 96h; Ambient temperature; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

: 115-11-7
isobutene

A: 107-39-1
2,4,4-trimethyl-1-pentene

B: 141-70-8
1,1-dineopentylethylene

C: 107-40-4
2,4,4-trimethylpent-2-ene

D: 565-77-5
2,3,4-trimethyl-2-pentene

E: 560-22-5
3,3,4-trimethyl-1-pentene

F: 123-48-8
2,2,4,6,6-pentamethyl-3-heptene

Conditions

Conditions	Yield
With aluminum oxide; air; rhenium(VII) oxide at 150℃; Product distribution; oligomerization in different gases; further temperatures;;

...Expand

: 115-11-7
isobutene

A: 107-39-1
2,4,4-trimethyl-1-pentene

B: 141-70-8
1,1-dineopentylethylene

C: 107-40-4
2,4,4-trimethylpent-2-ene

D: 123-48-8
2,2,4,6,6-pentamethyl-3-heptene

Conditions

Conditions	Yield
With zeolite HNaY at 100℃; further temperatures, further zeolites; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;
With tricaprylylmethylammonium chloride; C13H25N2O3S(1+)*HO4S(1-) In cyclohexane at 140℃; for 8h; Reagent/catalyst; Pressure; Time; Temperature; Autoclave;

: 563-79-1
2,3-Dimethyl-2-butene

H2SO4 (80 percent ): H2SO4 (80 percent )

A: 141-70-8
1,1-dineopentylethylene

B 2.2.3.5.6-pentamethyl-heptene-(3): 2.2.3.5.6-pentamethyl-heptene-(3)

C 2.2.4.6.6-pentamethyl-heptene-(3): 2.2.4.6.6-pentamethyl-heptene-(3)

D 2.2.4.5.6-pentamethyl-heptene-(2): 2.2.4.5.6-pentamethyl-heptene-(2)

Conditions

Conditions	Yield
at 0℃; gibt ein Gemisch von Dimeren; bei der anschliessender Ozonspaltung;

...Expand

: 61916-03-8
Difluor-N-trimethylsilyl-N-tert-butylaminophosphin

A: 141-70-8
1,1-dineopentylethylene

B: 420-56-4
trimethylsilyl fluoride

C: 29215-37-0
t-butylaminodifluorophosphine

D: tert-butylammonium hexafluorophosphate

E F3P=N-PF2, NH4(+)PF6(-): F3P=N-PF2, NH4(+)PF6(-)

Conditions

Conditions	Yield
With phosphorus pentafluoride for 96h; Ambient temperature; Yield given. Further byproducts given;	A n/a B 4.46 g C 0.14 g D 1.10 g E n/a
With phosphorus pentafluoride for 96h; Ambient temperature;	A 5.88 g B 4.46 g C 0.14 g D 1.10 g E n/a
With phosphorus pentafluoride for 96h; Ambient temperature; Further byproducts given;	A n/a B 4.46 g C 0.14 g D 1.10 g E n/a

...Expand

: 2,2-Difluor-2-(N-trimethylsilyl-N-tert-butylamino)-4,4,5,5,-tetrakis(trifluormethyl)-1,3,2λ5-dioxaphospholan

A: 141-70-8
1,1-dineopentylethylene

B: 420-56-4
trimethylsilyl fluoride

C: tert-butylammonium hexafluorophosphate

D: 2,2,2-Trifluoro-4,5-bis-trifluoromethyl-2λ5-[1,3,2]dioxaphospholane

E NH4(+)PF6(-): NH4(+)PF6(-)

Conditions

Conditions	Yield
With phosphorus pentafluoride for 96h; Ambient temperature; Yield given. Further byproducts given;	A n/a B 3.70 g C 1.10 g D 15.54 g E n/a
With phosphorus pentafluoride for 96h; Ambient temperature; Further byproducts given;	A n/a B 3.70 g C 1.10 g D 15.54 g E n/a

...Expand

Heptane,2,2,6,6-tetramethyl-4-methylene- Specification

The Heptane,2,2,6,6-tetramethyl-4-methylene-, with the CAS registry number 141-70-8, is also known as 4,4-Dimethyl-2-neopentyl-1-pentene. Its EINECS registry number is 205-495-9. This chemical's molecular formula is C₁₂H₂₄and molecular weight is 168.32. What's more, its systematic name is 2,2,6,6-Tetramethyl-4-methylideneheptane. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Heptane,2,2,6,6-tetramethyl-4-methylene- are: (1)ACD/LogP: 5.91; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.91; (4)ACD/LogD (pH 7.4): 5.91; (5)ACD/BCF (pH 5.5): 18294.24; (6)ACD/BCF (pH 7.4): 18294.24; (7)ACD/KOC (pH 5.5): 39133.73; (8)ACD/KOC (pH 7.4): 39133.73; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.429; (13)Molar Refractivity: 57.14 cm³; (14)Molar Volume: 221.6 cm³; (15)Polarizability: 22.65×10^-24cm³; (16)Surface Tension: 22.9 dyne/cm; (17)Density: 0.759 g/cm³; (18)Flash Point: 56.7 °C; (19)Enthalpy of Vaporization: 40.96 kJ/mol; (20)Boiling Point: 190.9 °C at 760 mmHg; (21)Vapour Pressure: 0.735 mmHg at 25 °C.

Use of Heptane,2,2,6,6-tetramethyl-4-methylene-: it is used to produce other chemicals. For example, it is used to produce 2,2,7,7-Tetramethyl-octan-4-one and 2,2-Dineopentyl-oxirane. The reaction occurs with reagent O₃ and solvent CH₂Cl₂ with reaction temperature of 0 °C. The yield is about 27 %.

Heptane,2,2,6,6-tetramethyl-4-methylene- is used to produce 2,2,7,7-Tetramethyl-octan-4-one and 2,2-Dineopentyl-oxirane

You can still convert the following datas into molecular structure:
(1)SMILES: C(=C)(\CC(C)(C)C)CC(C)(C)C
(2)InChI: InChI=1/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h1,8-9H2,2-7H3
(3)InChIKey: TUFZRYOCZCLYJO-UHFFFAOYAK

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