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

Name
1,1-DINEOPENTYL ETHYLENE
EINECS 205-495-9
CAS No. 141-70-8
Article Data13
CAS DataBase
Density 0.759 g/cm³
Solubility
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
Appearance Clear liquid
Safety
Risk Codes
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;
PSA 0.00000
LogP 4.41500

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;

...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: 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;

...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: 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;

...Expand

: 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

: 67-56-1
methanol

: 100386-42-3
4-chloro-2,2,4,6,6-pentamethylheptane

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

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

C: 4-methoxy-2,2,4,6,6-pentamethyl-heptane

Conditions

Conditions	Yield
at 25℃; Kinetics;

...Expand

: 75-89-8
2,2,2-trifluoroethanol

: 100386-42-3
4-chloro-2,2,4,6,6-pentamethylheptane

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

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

C: 2,2,4,6,6-Pentamethyl-4-(2,2,2-trifluoro-ethoxy)-heptane

Conditions

Conditions	Yield
at 25℃; Kinetics;

...Expand

: 677-22-5
tert-butylmagnesium chloride

: 74-95-3
1,2-dibromomethane

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

B: 1070-87-7
2,2,4,4-tetramethylpentane

C: 630-17-1
2,2-dimethylpropyl bromide

D: 107713-49-5
3-bromo-2,2,4,4-tetramethylpentane

Conditions

Conditions	Yield
With 2-(CH3)-4-[1,2,2-(CH3)3-bicyclo[3.1.0]hex-3-yl]but-2-en-1-ol Further byproducts.;

...Expand

: 115-11-7
isobutene

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

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

C: 39761-70-1
2,2,4,6,6,8,8-heptamethyl-non-4-ene

Conditions

Conditions	Yield
With molecular sieves supported chloroaluminate ionic liquid In neat (no solvent, gas phase) at 25℃; under 760.051 Torr;

...Expand

: 141-70-8
1,1-dineopentylethylene

A: 4737-48-8
1,1-dineopentylethylene oxide

B: 16387-37-4
2,2,7,7-Tetramethyl-octan-4-one

Conditions

Conditions	Yield
With ozone In dichloromethane at 0℃;	A 27% B 58%

: 108-31-6
maleic anhydride

: 141-70-8
1,1-dineopentylethylene

: 72242-67-2
(+/-)-(4,4-dimethyl-2-neopentyl-pent-2ξ-enyl)-succinic acid-anhydride

Conditions

Conditions	Yield
With benzene at 200℃;

: 93-59-4
Perbenzoic acid

: 141-70-8
1,1-dineopentylethylene

: 4737-48-8
1,1-dineopentylethylene oxide

Conditions

Conditions	Yield
With chloroform

: 141-70-8
1,1-dineopentylethylene

A: 4737-48-8
1,1-dineopentylethylene oxide

B: 30667-81-3
4,4-dimethyl-2-neopentyl-valeric acid

Conditions

Conditions	Yield
With chromium(VI) oxide; acetic anhydride

: 141-70-8
1,1-dineopentylethylene

: 18081-51-1
trichloro-(4,4-dimethyl-2-neopentyl-pentyl)-silane

Conditions

Conditions	Yield
With diacetyl peroxide; trichlorosilane at 50 - 60℃;

: 141-70-8
1,1-dineopentylethylene

: 13475-82-6
Permethyl 99A

Conditions

Conditions	Yield
With nickel at 150℃; under 95616 Torr; Hydrogenation;

: 141-70-8
1,1-dineopentylethylene

: 100386-42-3
4-chloro-2,2,4,6,6-pentamethylheptane

Conditions

Conditions	Yield
With hydrogenchloride

: 141-70-8
1,1-dineopentylethylene

: 15672-96-5
4,4-dimethyl-pentanamide

Conditions

Conditions	Yield
With pyridine; ammonium hydroxide; sulfur at 210℃;

: 141-70-8
1,1-dineopentylethylene

: 30667-81-3
4,4-dimethyl-2-neopentyl-valeric acid

Conditions

Conditions	Yield
With chromium(III) oxide; sulfuric acid
Multi-step reaction with 2 steps 1: (i) NaBH4, BF3-Et2O, (ii) NaOH, aq. H2O2 2: CrO3 / acetone View Scheme

: 141-70-8
1,1-dineopentylethylene

: 108-24-7
acetic anhydride

: 23687-57-2
4-(2,2-dimethyl-propyl)-6,6-dimethyl-hept-3-en-2-one

Conditions

Conditions	Yield
With zinc(II) chloride

: 141-70-8
1,1-dineopentylethylene

: 97-72-3
2-Methylpropionic anhydride

: 2,7,7-trimethyl-5-neopentyl-oct-4-en-3-one

Conditions

Conditions	Yield
With zinc(II) chloride

: 141-70-8
1,1-dineopentylethylene

: 51552-64-8
4,4-dimethyl-2-(2,2-dimethyl-propyl)-pentan-1-ol

Conditions

Conditions	Yield
(i) NaBH4, BF3-Et2O, (ii) NaOH, aq. H2O2; Multistep reaction;
Multi-step reaction with 2 steps 1: acetic acid anhydride; chromium (VI)-oxide 2: lithium alanate; diethyl ether View Scheme
Multi-step reaction with 2 steps 1: acetic acid anhydride; chromium (VI)-oxide 2: lithium alanate; diethyl ether View Scheme

: 141-70-8
1,1-dineopentylethylene

: 14090-24-5
1-chloro-2-(2,2-dimethyl-propyl)-4,4-dimethyl-pent-1-ene

Conditions

Conditions	Yield
With hypochloric acid In acetone at 25 - 30℃;

: 141-70-8
1,1-dineopentylethylene

: 2,2,6,6-tetramethyl-4-nitromethyl-4-nitrosooxy-heptane

Conditions

Conditions	Yield
With dinitrogen tetraoxide

: 141-70-8
1,1-dineopentylethylene

: 83810-21-3
acide acetylsulfoacetique

A: 23687-57-2
4-(2,2-dimethyl-propyl)-6,6-dimethyl-hept-3-en-2-one

B: 83810-27-9
tertiobutyl-3 neopentyl-4 pentene-4 one-2

C: 83810-26-8
terbutyl-3 trimetyl-4,6,6 heptene-4 one-2

D: 83810-25-7
neopentyl-4 dimethyl-6,6 heptene-4 one-2

Conditions

Conditions	Yield
In acetic anhydride at 125℃; for 0.166667h; Yield given. Yields of byproduct given;

...Expand

: 141-70-8
1,1-dineopentylethylene

: 4-Bromo-4-bromomethyl-2,2,6,6-tetramethyl-heptane

Conditions

Conditions	Yield
With bromine In methanol Rate constant; other solvent, solvent effect;

: 93-59-4
Perbenzoic acid

: 141-70-8
1,1-dineopentylethylene

: 67-66-3
chloroform

α.α-dineopentyl-ethylene oxide: α.α-dineopentyl-ethylene oxide

Conditions

Conditions	Yield
at 6℃;

...Expand

: 141-70-8
1,1-dineopentylethylene

Raney nickel: Raney nickel

: 13475-82-6
Permethyl 99A

Conditions

Conditions	Yield
at 150℃; under 95616 Torr; Hydrogenation;

: 110-86-1
pyridine

: 141-70-8
1,1-dineopentylethylene

: ammonium hydroxide

sulfur: sulfur

: 15672-96-5
4,4-dimethyl-pentanamide

Conditions

Conditions	Yield
at 210℃;

...Expand

: 141-70-8
1,1-dineopentylethylene

: 108-24-7
acetic anhydride

chromium (VI)-oxide: chromium (VI)-oxide

A: 4737-48-8
1,1-dineopentylethylene oxide

B: 30667-81-3
4,4-dimethyl-2-neopentyl-valeric acid

...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

Product Name

1,1-DINEOPENTYL ETHYLENE

Synthetic route

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

Related Products

Hot Products