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| CAS No.: | 7686-77-3 |
|---|---|
| Name: | 3-Cyclopentene-1-carboxylic acid |
| Article Data: | 28 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H8O2 |
| Molecular Weight: | 112.128 |
| Synonyms: | 3-Cyclopentenecarboxylicacid;3-Cyclopentenylcarboxylic acid;4-Carboxycyclopentene;Cyclopent-1-ene-4-carboxylic acid; |
| EINECS: | 236-047-0 |
| Density: | 1.189 g/cm3 |
| Boiling Point: | 227.3 °C at 760 mmHg |
| Flash Point: | 101.1 °C |
| Appearance: | Clear colorless to slightly yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 24/25-36-26 |
| PSA: | 37.30000 |
| LogP: | 1.03720 |
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- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 88326-51-6
Dimethyl 3-cyclopentene-1,1-dicarboxylate
- 7686-77-3
3-cyclopentene-1-carboxylic acid
| Conditions | Yield |
|---|---|
| at 185 - 195℃; for 1h; | 100% |
| at 180℃; for 1h; Neat (no solvent); | 93% |
| at 170 - 175℃; for 2h; | 89% |
| Conditions | Yield |
|---|---|
| With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In dichloromethane at 40℃; for 1h; Schlenk technique; | 98% |
- 58101-60-3
methyl cyclopent-3-ene-1-carboxylate
- 7686-77-3
3-cyclopentene-1-carboxylic acid
| Conditions | Yield |
|---|---|
| With water; lithium hydroxide In tetrahydrofuran at 25℃; for 15h; | 90% |
- 84646-68-4
Dimethyl 3-cyclopentene-1,1-dicarboxylate
- 7686-77-3
3-cyclopentene-1-carboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: Dimethyl 3-cyclopentene-1,1-dicarboxylate With water; potassium hydroxide In ethanol at 45℃; for 14h; Inert atmosphere; Stage #2: at 180℃; for 1h; Inert atmosphere; | 73% |
| Multi-step reaction with 2 steps 1: 45percent KOH / aq. ethanol / 15 h / Heating 2: 100 percent / 1 h / 185 - 195 °C View Scheme | |
| Multi-step reaction with 2 steps 1: water; potassium hydroxide / ethanol / 1 h / Reflux 2: 1 h / 180 °C / Neat (no solvent) View Scheme |
- 58101-60-3
methyl cyclopent-3-ene-1-carboxylate
- 75-05-8
acetonitrile
A
- 7686-77-3
3-cyclopentene-1-carboxylic acid
B
- 97820-85-4
3-(cyclopent-3-en-1-yl)-3-oxopropanenitrile
| Conditions | Yield |
|---|---|
| With potassium tert-butylate; isopropyl alcohol In 2-methyltetrahydrofuran at 20℃; for 2h; Inert atmosphere; | A n/a B 29% |
- 67886-24-2, 67886-30-0, 77983-99-4, 2348-89-2
(+/-)-cyclopent-2-enecarboxylic acid
- 74-88-4
methyl iodide
A
- 7686-77-3
3-cyclopentene-1-carboxylic acid
- 6240-43-3, 6240-44-4, 24070-68-6
cis-3-methylcyclopentanecarboxylic acid
- 4541-43-9, 5454-78-4, 18335-62-1, 97276-84-1, 109716-77-0, 109716-78-1, 134877-06-8
acide methyl-2 cyclopentanecarboxylique-1 cis
| Conditions | Yield |
|---|---|
| With pyridine; bis(1,5-cyclooctadiene)nickel (0); sulfuric acid 1) THF, room temperature, 24 h, 2) THF, room temperature, 24 h; Yield given. Multistep reaction; | A 10% B n/a C 4% |
| Conditions | Yield |
|---|---|
| (i) Mg, Et2O, (ii) /BRN= 1900390/; Multistep reaction; | |
| With magnesium 1.) ether, RT, 5 h; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| Heating; | |
| Multi-step reaction with 3 steps 1: 94 percent / 480 °C 2: KOH / H2O; ethanol / 6 h / Heating 3: 180 °C View Scheme |
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
- 7686-77-3
3-cyclopentene-1-carboxylic acid
| Conditions | Yield |
|---|---|
| With barium dihydroxide; water; silver(l) oxide | |
| With sodium hydroxide at 350℃; |
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Chemistry
Product Name: 3-Cyclopentene-1-carboxylic acid (CAS NO.7686-77-3)
Molecular Formula: C6H8O2
Molecular Weight: 112.13g/mol
Mol File: 7686-77-3.mol
Boiling point: 227.3 °C at 760 mmHg
Storage Temperature: Refrigerator (+4°C)
Flash Point: 101.1 °C
Density: 1.189 g/cm3
Refractive index: n20/D 1.469(lit.)
Index of Refraction: 1.522
Molar Refractivity: 28.76 cm3
Molar Volume: 94.2 cm3
Surface Tension: 48.2 dyne/cm
Enthalpy of Vaporization: 51.1 kJ/mol
Vapour Pressure: 0.0282 mmHg at 25°C
XLogP3-AA: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 3-Cyclopentene-1-carboxylic acid (CAS NO.7686-77-3):
IUPAC Name: cyclopent-3-ene-1-carboxylic acid
Canonical SMILES: C1C=CCC1C(=O)O
InChI: InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h1-2,5H,3-4H2,(H,7,8)
InChIKey: XVSYDLITVYBCBD-UHFFFAOYSA-N
Product Categories: ACIDHALIDE; pharmacetical; INTERMEDIATESOFDOLASETRONMESYLATE; Carboxylic Acids; Organic acids; API intermediates; Carboxylic Acids; Ring Systems; C6; Carbonyl Compounds
Safety Profile
Safety Information of 3-Cyclopentene-1-carboxylic acid (CAS NO.7686-77-3):
Hazard Codes Xi
Risk Statements 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 24/25-36-26
S24/25:Avoid contact with skin and eyes.
S36:Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany 3
Hazard Note Irritant
Specification
3-Cyclopentene-1-carboxylic acid , its CAS NO. is 7686-77-3, the synonyms are 3-Cyclopentenecarboxylic acid ; Cyclopentene-1-CarboxylicAcid ; 3-Cyclopentenecarboxylic .