CAS No.875-72-9,2-methylideneadamantane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	875-72-9
Name:	2-methylideneadamantane
Article Data:	54

Formula:	C₁₁H₁₆
Molecular Weight:	148.248
Synonyms:	Adamantane,2-methylene- (6CI,7CI,8CI);Tricyclo[3.3.1.13,7]decane, methylene- (9CI);2-Methyleneadamantane;Methyleneadamantane;
Density:	0.97 g/cm³
Boiling Point:	203.4 °C at 760 mmHg
Flash Point:	67.2 °C
PSA:	0.00000
LogP:	2.99870

Synthetic route

: 2-Benzenesulfonylmethylene-adamantane

: 875-72-9
2-methylideneadamantane

Conditions

Conditions	Yield
With ethanol; magnesium; mercury dichloride for 2h; Ambient temperature;	99%
With ethanol; magnesium; mercury dichloride for 2h; Ambient temperature; other substrates;	99%

: 702-98-7
2-methyladamantan-2-ol

: 875-72-9
2-methylideneadamantane

Conditions

Conditions	Yield
With potassium hydrogensulfate at 100℃; under 150 - 200 Torr;	96%
With phosphoric acid	85%
With toluene-4-sulfonic acid In toluene for 1h; Heating;	65%

: 700-58-3
2-Adamantanone

: 61078-14-6
1-methyl-2-(methylsulfonyl)-1H-benzo[d]imidazole

: 875-72-9
2-methylideneadamantane

Conditions

Conditions	Yield
With potassium tert-butylate In N,N-dimethyl-formamide at 20℃; for 1h; Reagent/catalyst; Temperature; Time; Inert atmosphere;	96%
With sodium hexamethyldisilazane In N,N-dimethyl-formamide at -55 - 20℃; Reagent/catalyst; Temperature; Inert atmosphere;	95%

: 700-58-3
2-Adamantanone

: 917-54-4
methyllithium

: 875-72-9
2-methylideneadamantane

Conditions

Conditions	Yield
With thionyl chloride Product distribution; other alkyllithiums, other hindered ketones;	94%
With thionyl chloride 1.) Et2O, -78 deg C, 30 min, 2.) a) -78 deg C, 5 min, b) RT, 30 min; Yield given. Multistep reaction;

: 58540-98-0
2-Trimethylsilanylmethyl-adamantan-2-ol

: 875-72-9
2-methylideneadamantane

Conditions

Conditions	Yield
Nafion-H In dichloromethane for 1h; Ambient temperature;	88%
(i) nBuLi, THF, hexane, (ii) MeSO2Cl; Multistep reaction;

: 700-58-3
2-Adamantanone

: 75-09-2
dichloromethane

A: 875-72-9
2-methylideneadamantane

B: 700-57-2
1-adamantanol

Conditions

Conditions	Yield
With titanium tetrachloride; magnesium In tetrahydrofuran at 0 - 20℃; for 0.833333h;	A 86% B 6%

...Expand

: 74381-15-0
4(e)-Chloro-2-methyleneadamantane

: 875-72-9
2-methylideneadamantane

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In cyclohexane for 20h; Heating;	79.1%

: 27852-61-5
2-bromo-2-methyladamantane

: 875-72-9
2-methylideneadamantane

Conditions

Conditions	Yield
With 2,4,6-triphenylverdazyl In acetonitrile for 48h; Ambient temperature;	73%
In sulfolane at 30℃; Rate constant; Kinetics; Thermodynamic data; other temperatures; ΔH(excit.), ΔS(excit.); other aprotic solvents;
With 1,3,5-triphenylverdazyl In cyclohexanone at 25℃; Thermodynamic data; Kinetics; Further Variations:; Solvents;

: 31934-34-6
2',5'-dihydrospiro

A: 875-72-9
2-methylideneadamantane

B: 56169-89-2
spiro

C: 97462-11-8
homoadamantane-2-thione

Conditions

Conditions	Yield
In xylene at 80℃; for 30h;	A 3% B 70% C 16%
In xylene	A 3 % Spectr. B 63 % Spectr. C 14 % Spectr.
In xylene at 80℃; for 30h; Product distribution; Rate constant; thermolysis in xylene, in benzyl alcohol or piperidine; kinetic of thermolysis in xylene; regiochemistry of cycloaddition of diazomethane to adamantanethione; kinetic of thermolysis of 2',5'-dihydrospiro;	A 3 % Spectr. B 64 % Spectr. C 14 % Spectr.

...Expand

: 31934-34-6
C11H16N2S

A: 875-72-9
2-methylideneadamantane

B: 97462-11-8
homoadamantane-2-thione

C: 56169-89-2
C11H16S

Conditions

Conditions	Yield
In xylene at 80℃; for 30h;	A 3% B 16% C 70%

...Expand

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Specification

The IUPAC name of 2-Methylideneadamantane is 2-methylideneadamantane. With the CAS registry number 875-72-9, it is also named as Tricyclo(3.3.1.13,7)decane, 2-methylene-. In addition, its molecular formula is C₁₁H₁₆ and molecular weight is 148.24.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.32; (4)ACD/LogD (pH 7.4): 4.32; (5)ACD/BCF (pH 5.5): 1122.28; (6)ACD/BCF (pH 7.4): 1122.28; (7)ACD/KOC (pH 5.5): 5307.15; (8)ACD/KOC (pH 7.4): 5307.15; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 0; (12)Index of Refraction: 1.522; (13)Molar Refractivity: 46.29 cm³; (14)Molar Volume: 151.6 cm³; (15)Polarizability: 18.35×10^-24cm³; (16)Surface Tension: 31.5 dyne/cm; (17)Density: 0.97 g/cm³; (18)Flash Point: 67.2 °C; (19)Enthalpy of Vaporization: 42.17 kJ/mol; (20)Boiling Point: 203.4 °C at 760 mmHg; (21)Vapour Pressure: 0.396 mmHg at 25 °C.

Preparation of 2-Methylideneadamantane: this chemical can be prepared by 2-Methyl-2-hydroxyadamantane.

This reaction needs I₂ and Xylene by heating.

Uses of 2-Methylideneadamantane: it can be used for producing Bromomethylidene-adamantane.

This reaction needs NBS, (PhCO)₂O₂ and Benzene.

People can use the following data to convert to the molecule structure.
(1)SMILES:C=C1/C2CC3CC1CC(C2)C3
(2)InChI:InChI=1/C11H16/c1-7-10-3-8-2-9(5-10)6-11(7)4-8/h8-11H,1-6H2
(3)InChIKey:JTCQPLINQYIRDZ-UHFFFAOYAH
(4)Std. InChI:InChI=1S/C11H16/c1-7-10-3-8-2-9(5-10)6-11(7)4-8/h8-11H,1-6H2
(5)Std. InChIKey:JTCQPLINQYIRDZ-UHFFFAOYSA-N