CAS No.4541-32-6,2,2-DIMETHYLCYCLOPENTANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4541-32-6
Name:	2,2-DIMETHYLCYCLOPENTANONE
Article Data:	48

Formula:	C₇H₁₂O
Molecular Weight:	112.172
Synonyms:	2,2-Dimethyl-1-cyclopentanone;
Density:	0.9±0.1 g/cm³
Boiling Point:	148.1±8.0 °C at 760 mmHg
Flash Point:	32.778 °C
Appearance:	clear colorless to yellow liquid
Risk Codes:	10
Safety:	16-29-33
Transport Information:	UN 1224 3/PG 3
PSA:	17.07000
LogP:	1.76560

Synthetic route

: 19980-43-9
1-(trimethylsilyloxy)cyclopentene

: 74-88-4
methyl iodide

A: 1120-72-5
2-Methylcyclopentanone

B: 4541-32-6
2,2-dimethylcyclopentanone

C: 6672-39-5
cis-2,5-dimethylcyclopentanone

: 83664-37-3
(+/-)-trans-2,5-dimethylcyclopentanone

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide; methyllithium; dimethyl zinc(II) In tetrahydrofuran at -78℃; for 10h;	A 98% B n/a C n/a D n/a
With methyllithium In tetrahydrofuran at 0℃; for 3h; Further byproducts given;	A 79% B n/a C n/a D n/a

...Expand

: 17197-84-1
5,5-dimethylcyclopent-2-enone

: 4541-32-6
2,2-dimethylcyclopentanone

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol for 6h; Ambient temperature;	96%
With lithium tri(t-butoxy)aluminum hydride In tetrahydrofuran at -78℃; for 2h;	66%

: 99767-31-4
1-(2-hydroxyprop-2-yl)cyclobutanol

: 4541-32-6
2,2-dimethylcyclopentanone

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 20℃; for 1h; Rearrangement;	93%

: 2-bromomethyl-2-methylcyclopentanone

: 4541-32-6
2,2-dimethylcyclopentanone

Conditions

Conditions	Yield
With acetic acid; zinc at 110℃; for 2h;	92%

: 56475-44-6
5-iodo-2,2-dimethylpentanenitrile

: 4541-32-6
2,2-dimethylcyclopentanone

Conditions

Conditions	Yield
Stage #1: 5-iodo-2,2-dimethylpentanenitrile With n-hexyllithium In tetrahydrofuran; hexane at -20 - -5℃; for 1.33333h; Stage #2: With oxalic acid In tetrahydrofuran; hexane; water at -5 - 20℃;	81%
With magnesium; ethylene dibromide In diethyl ether

: 19980-43-9
1-(trimethylsilyloxy)cyclopentene

: 74-88-4
methyl iodide

A: 1120-72-5
2-Methylcyclopentanone

B: 4541-32-6
2,2-dimethylcyclopentanone

C: 4573-09-5
2,2,5-trimethylcyclopentanone

D: 6672-39-5
cis-2,5-dimethylcyclopentanone

Conditions

Conditions	Yield
With methyllithium In tetrahydrofuran at 0℃; for 3h; Further byproducts given;	A 79% B n/a C n/a D n/a
With methyllithium 1.) THF, 2.) 0 deg C, 3 h; Multistep reaction. Further byproducts given. Yields of byproduct given;

...Expand

: 19980-43-9
1-(trimethylsilyloxy)cyclopentene

: 74-88-4
methyl iodide

A: 1120-72-5
2-Methylcyclopentanone

B: 4541-32-6
2,2-dimethylcyclopentanone

C: 4573-09-5
2,2,5-trimethylcyclopentanone

D: 6672-39-5
cis-2,5-dimethylcyclopentanone

: 83664-37-3
(+/-)-trans-2,5-dimethylcyclopentanone

Conditions

Conditions	Yield
With methyllithium In tetrahydrofuran at 0℃; for 3h; Product distribution; var. temp., times, and reagent systems; other lithium enolates;	A 79% B n/a C n/a D n/a E n/a

...Expand

: 6296-92-0, 33046-19-4, 33046-20-7
trans-1,2-dimethylcyclopentan-1,2-diol

: 99767-31-4
1-(2-hydroxyprop-2-yl)cyclobutanol

: 4541-32-6
2,2-dimethylcyclopentanone

Conditions

Conditions	Yield
With phosphoric acid; phosphorus pentoxide at 45℃; for 0.166667h; Rearrangement;	66%

: 112126-07-5
1-(1-Methyl-1-methylselanyl-ethyl)-cyclobutanol

: 4541-32-6
2,2-dimethylcyclopentanone

Conditions

Conditions	Yield
With potassium hydroxide; chloroform; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane at 20℃; for 1h;	63%

: 2,2-dimethyl-adipic acid-anhydride

: 4541-32-6
2,2-dimethylcyclopentanone

Conditions

Conditions	Yield
bei langsamer Destillation;

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Specification

The 2,2-Dimethylcyclopentanone, with the CAS registry number 4541-32-6, is also known as Cyclopentanone, 2,2-dimethyl-. It belongs to the product categories of C7 to C8; Carbonyl Compounds; Ketones. This chemical's molecular formula is C₇H₁₂O and formula weight is 112.17. What's more, its IUPAC name is called 2,2-dimethylcyclopentan-1-one. This chemical is clear colorless to yellow liquid.

Physical properties of 2,2-Dimethylcyclopentanone: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 5.07; (6)ACD/BCF (pH 7.4): 5.07; (7)ACD/KOC (pH 5.5): 111.31; (8)ACD/KOC (pH 7.4): 111.31; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.438; (13)Molar Refractivity: 32.51 cm³; (14)Molar Volume: 123.6 cm³; (15)Surface Tension: 27.1 dyne/cm; (16)Density: 0.907 g/cm³; (17)Flash Point: 32.8 °C; (18)Enthalpy of Vaporization: 38.51 kJ/mol; (19)Boiling Point: 148.1 °C at 760 mmHg; (20)Vapour Pressure: 4.29 mmHg at 25°C.

Preparation: this chemical can be prepared by 5,5-dimethyl-cyclopent-2-enone. This reaction will need reagent lithium tri-t-butoxyaluminium hydride and solvent tetrahydrofuran. The reaction time is 2 hours with reaction temperature of -78 ℃. The yield is about 66%.

Uses of 2,2-Dimethylcyclopentanone: it can be used to produce 5,5-dimethyl-1-morpholinocyclopentene. This reaction will need reagent p-toluenesulfonic acid and solvent toluene with reaction time of 36 hours. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. You should keep it away from sources of ignition - No smoking. In addition, please do not empty into drains. Besides, you should take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(CCCC1=O)C
(2)InChI: InChI=1S/C7H12O/c1-7(2)5-3-4-6(7)8/h3-5H2,1-2H3
(3)InChIKey: FTGZMZBYOHMEPS-UHFFFAOYSA-N