CAS No.711-02-4,Bicyclo[2.2.2]Octane-1,4-Dicarboxylic Acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	711-02-4
Name:	Bicyclo[2.2.2]Octane-1,4-Dicarboxylic Acid
Article Data:	16

Formula:	C₁₀H₁₄O₄
Molecular Weight:	198.219
Synonyms:	1,4-bicyclo<2.2.2>octanedicarboxylic acid;1,4-dicarboxybicyclo[2.2.2]octane;bicyclo[2.2.2]octane-1,4-dicarboxylyc acid;Bicyclo[2.2.2]octane-1,4-dicarboxylicacid;Bicyclo[2.2.2]octan-1,4-dicarbonsaeure;
Density:	1.447 g/cm³
Melting Point:	393-395ºC
Boiling Point:	392.9 °C at 760 mmHg
Flash Point:	205.6 °C
PSA:	74.60000
LogP:	1.49620

Synthetic route

: 1459-96-7
dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate

: 711-02-4
1,4-bicyclo[2.2.2]octanedicarboxylic acid

Conditions

Conditions	Yield
Stage #1: dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate With lithium hydroxide; water; isopropyl alcohol In tetrahydrofuran at 60 - 70℃; for 2.5h; Stage #2: With hydrogenchloride In water at 0℃;	98%
With potassium hydroxide; water In ethanol for 18h; Reflux;
With lithium hydroxide In tetrahydrofuran; water; isopropyl alcohol at 65℃; for 2.5h; Inert atmosphere;

: 1194-44-1
1,4-dihydroxybicyclo[2.2.2]nonane

: 201230-82-2
carbon monoxide

: 711-02-4
1,4-bicyclo[2.2.2]octanedicarboxylic acid

Conditions

Conditions	Yield
With fuming sulphuric acid at 23℃; under 104192 Torr; for 16h; Autoclave;	87%

: 41034-58-6
1,4-dicyanobicyclo(2.2.2)octane

: 711-02-4
1,4-bicyclo[2.2.2]octanedicarboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide In methanol Heating;	82%

: diethyl 2,5-bis(semicarbazone)bicyclo[2.2.2]octane-1,4-dicarboxylate

: 711-02-4
1,4-bicyclo[2.2.2]octanedicarboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide In ethylene glycol at 20 - 160℃; for 0.75h;	75%

: 201230-82-2
carbon monoxide

: 10364-35-9
1,4-Diacetoxybicyclo<2.2.2>octane

: 711-02-4
1,4-bicyclo[2.2.2]octanedicarboxylic acid

Conditions

Conditions	Yield
With fuming sulphuric acid at 23℃; under 104192 Torr; for 16h; Reagent/catalyst; Autoclave;	60%

: 201230-82-2
carbon monoxide

: 54774-94-6
4-acetoxybicyclo<2.2.2>octan-1-ol

: 711-02-4
1,4-bicyclo[2.2.2]octanedicarboxylic acid

Conditions

Conditions	Yield
With fuming sulphuric acid at 23℃; under 104192 Torr; for 16h; Autoclave;	48%

: 826-45-9
Bicyclo<2.2.2>octane-1,4-dimethanol

: 711-02-4
1,4-bicyclo[2.2.2]octanedicarboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide; potassium permanganate

: 1659-75-2
Bicyclo<2.2.2.>octan-1,4-dicarbonsauere-ethylester

: 711-02-4
1,4-bicyclo[2.2.2]octanedicarboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide In ethanol
Stage #1: Bicyclo<2.2.2.>octan-1,4-dicarbonsauere-ethylester With sodium hydroxide Stage #2: With hydrogenchloride In water

: 1459-96-7
dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate

A: 711-02-4
1,4-bicyclo[2.2.2]octanedicarboxylic acid

B: 18720-35-9
bicyclo[2.2.2]octane-1,4-dicarboxylic acid monomethyl ester

Conditions

Conditions	Yield
With barium dihydroxide In methanol; water for 18h; Ambient temperature;

2.5-dioxo-bicyclo<2.2.2>octane-dicarboxylic acid-(1.4)-diethyl ester: 2.5-dioxo-bicyclo<2.2.2>octane-dicarboxylic acid-(1.4)-diethyl ester

A: 711-02-4
1,4-bicyclo[2.2.2]octanedicarboxylic acid

B 6ξ-hydroxy-tricyclo<3.2.1.02.7>octane-dicarboxylic acid-(2.5): 6ξ-hydroxy-tricyclo<3.2.1.02.7>octane-dicarboxylic acid-(2.5)

Conditions

Conditions	Yield
With hydrogenchloride; amalgamated zinc; toluene

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Specification

The Bicyclo[2.2.2]Octane-1,4-Dicarboxylic Acid, with the CAS registry number 711-02-4, is a kind of clear colourless liquid, and belongs to the product categories: Industrial/Fine Chemicals; Bicyclic Monoterpenes; Biochemistry; Terpenes. And the molecular formula of the chemical is C₁₀H₁₄O₄.

The characteristics of Bicyclo[2.2.2]Octane-1,4-Dicarboxylic Acid are as followings: (1)ACD/LogP; 1.06; (2)# of Rule of 5 Violations; 0; (3)ACD/LogD (pH 5.5); -0.25; (4)ACD/LogD (pH 7.4); -3.37; (5)ACD/BCF (pH 5.5); 1; (6)ACD/BCF (pH 7.4); 1; (7)ACD/KOC (pH 5.5); 4.42; (8)ACD/KOC (pH 7.4); 1; (9)#H bond acceptors; 4; (10)#H bond donors; 2; (11)#Freely Rotating Bonds; 2; (12)Polar Surface Area; 52.6 Å²; (13)Index of Refraction; 1.601; (14)Molar Refractivity; 46.96 cm³; (15)Molar Volume; 136.9 cm³; (16)Polarizability; 18.61×10^-24cm³; (17)Surface Tension; 79 dyne/cm; (18)Density; 1.447 g/cm³; (19)Flash Point; 205.6 °C; (20)Enthalpy of Vaporization; 70.55 kJ/mol; (21)Boiling Point; 392.9 °C at 760 mmHg; (22)Vapour Pressure; 2.86E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C12CCC(C(=O)O)(CC1)CC2
(2)InChI: InChI=1/C10H14O4/c11-7(12)9-1-2-10(5-3-9,6-4-9)8(13)14/h1-6H2,(H,11,12)(H,13,14)
(3)InChIKey: KVOACUMJSXEJQT-UHFFFAOYAU