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| CAS No.: | 693-89-0 |
|---|---|
| Name: | 1-Methylcyclopentene |
| Molecular Structure: | |
|
|
|
| Formula: | C6H10 |
| Molecular Weight: | 82.1454 |
| Synonyms: | 1-Methyl-1-cyclopentene;1-Methylcyclopentene;NSC 64657; |
| EINECS: | 211-762-0 |
| Density: | 0.821 g/cm3 |
| Melting Point: | -142 °C |
| Boiling Point: | 78.4 °C at 760 mmHg |
| Flash Point: | 75-77 °C |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 F,  Xn
|
| Risk Codes: | 11-65 |
| Safety: | 16-62-7 |
| Transport Information: | UN 3295 |
| PSA: | 0.00000 |
| LogP: | 2.11660 |
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| Conditions | Yield |
|---|---|
| In liquid sulphur dioxide Ambient temperature; | 99% |
| With bromine chloride | 67 % Spectr. |
| With (allylsulfonyl)benzene In Cyclohexane-d12; toluene at 130℃; for 36.5h; Product distribution; Further Variations:; Reagents; Solvents; Temperatures; | 95 % Spectr. |
| With diphenyl disulfone In chloroform-d1 at 80℃; for 1h; Kinetics; |
| Conditions | Yield |
|---|---|
| Stage #1: methyllithium; cyclopentanone at -10 - 0℃; for 0.5h; Stage #2: With toluene-4-sulfonic acid In 1,2-dichloro-ethane Reflux; | 96% |
| With acid |
| Conditions | Yield |
|---|---|
| 95% | |
| With iodine; oxalic acid | 87% |
| With iodine Erhitzen des erhaltenen Gemisches von 1-Methyl-cyclopenten und Methylencyclopentan mit Essigsaeure und wenig Toluol-4-sulfonsaeure; |
| Conditions | Yield |
|---|---|
| Stage #1: methyl magnesium iodide; cyclopentanone In diethyl ether for 1h; Heating; Stage #2: With iodine In toluene for 3h; Heating; | 94% |
| In diethyl ether for 3h; Ambient temperature; | 34.8% |
| 2) dehydration; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| In diethyl ether for 1h; | 87% |
- 30043-41-5
(hex-5-enyl)magnesium bromide
A
- 693-89-0
1-methylcyclopent-1-ene
| Conditions | Yield |
|---|---|
| With isopropylmagnesium bromide; bis(cyclopentadienyl)titanium dichloride In diethyl ether at 36℃; for 5h; | A 66% B n/a |
- 115-10-6
Dimethyl ether
- 142-29-0
cyclopentene
B
- 187737-37-7
propene
C
- 74-85-1
ethene
D
- 693-89-0
1-methylcyclopent-1-ene
E
- 71-43-2
benzene
| Conditions | Yield |
|---|---|
| MFI280 zeolite at 400℃; under 750.075 Torr; for 20h; Product distribution / selectivity; Gas phase; | A 59.5% B 22.9% C 6% D 9.5% E 2.1% |
| MTT47 zeolite at 400℃; under 750.075 Torr; for 20h; Product distribution / selectivity; Gas phase; | A 52.2% B 6.7% C 1.4% D 39.3% E 0.4% |
| Conditions | Yield |
|---|---|
| ultrastabilized Y zeolite at 350℃; for 0.0333333h; | A 5.6% B 57.7% C 8.3% |
- 592-42-7
1,5-Hexadien
A
- 5194-50-3
(E,Z)-2,4-hexadiene
B
- 7319-00-8
(E)-1,4-hexadiene
C
- 1528-30-9
methylenecyclopentane
D
- 693-89-0
1-methylcyclopent-1-ene
| Conditions | Yield |
|---|---|
| With isopropylmagnesium bromide; bis(cyclopentadienyl)titanium dichloride In diethyl ether at 20℃; for 3h; Further byproducts given. Yields of byproduct given; | A n/a B n/a C n/a D 57% E n/a |
This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
The IUPAC name of 1-Methylcyclopentene is 1-Methylcyclopentene. With the CAS registry number 693-89-0, it is also named as 1-Methyl-1-cyclopentene. The product's categories are Alkenes; Cyclic and Organic Building Blocks. Besides, it is clear colourless liquid, which should be stored in sealed containers and placed in a cool and dry place. And the place is away from oxidizing agents. In addition, its molecular formula is C6H10 and molecular weight is 82.14.
The other characteristics of this product can be summarized as: (1)EINECS: 211-762-0; (2)ACD/LogP: 2.92; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.92; (5)ACD/LogD (pH 7.4): 2.92; (6)ACD/BCF (pH 5.5): 97.68; (7)ACD/BCF (pH 7.4): 97.68; (8)ACD/KOC (pH 5.5): 924.51; (9)ACD/KOC (pH 7.4): 924.51; (10)H bond acceptors: 0; (11)H bond donors: 0; (12)Freely Rotating Bonds: 0; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 27.36 cm3; (15)Molar Volume: 99.9 cm3; (16)Surface Tension: 25.4 dyne/cm; (17)Density: 0.821 g/cm3; (18)Flash Point: 75-77 °C; (19)Melting Point: -142 °C; (20)Enthalpy of Vaporization: 30.61 kJ/mol; (21)Boiling Point: 78.4 °C at 760 mmHg; (22)Vapour Pressure: 103 mmHg at 25 °C.
Preparation of 1-Methylcyclopentene: this chemical can be prepared by Methylenecyclopentane.
This reaction needs liquid Sulphur dioxide at ambient temperature. The yield is 99 %.
Uses of 1-Methylcyclopentene: this chemical is used in organic synthesis. Furthermore, it can react with Diiodomethane to get 1-Methylbicyclo[3.1.0]hexan.
This reaction needs ZnEt2 and Cyclohexane at ambient temperature. The reaction time is 5 days. The yield is 86 %.
When you are using this chemical, please be cautious about it as the following: 1-Methylcyclopentene is highly flammable. Please keep away from sources of ignition. Moreover, it is harmful that may cause lung damage if swallowed. Please keep container tightly closed. Additionally, if swallowed, do not induce vomitting, please seek medical advice immediately and show this container or label.
People can use the following data to convert to the molecule structure.
(1)SMILES:C\1=C(/C)CCC/1
(2)InChI:InChI=1/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3
(3)InChIKey:ATQUFXWBVZUTKO-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3
(5)Std. InChIKey:ATQUFXWBVZUTKO-UHFFFAOYSA-N