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Name	3-Cyclopentene-1-carboxylic acid	EINECS	236-047-0
CAS No.	7686-77-3	Density	1.189 g/cm³
PSA	37.30000	LogP	1.03720
Solubility	N/A	Melting Point	N/A
Formula	C₆H₈O₂	Boiling Point	227.3 °C at 760 mmHg
Molecular Weight	112.128	Flash Point	101.1 °C
Transport Information	N/A	Appearance	Clear colorless to slightly yellow liquid
Safety	24/25-36-26	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	3-Cyclopentenecarboxylicacid;3-Cyclopentenylcarboxylic acid;4-Carboxycyclopentene;Cyclopent-1-ene-4-carboxylic acid;	Article Data	28

3-Cyclopentene-1-carboxylic acid Synthetic route

: 88326-51-6
Dimethyl 3-cyclopentene-1,1-dicarboxylate

: 7686-77-3
3-cyclopentene-1-carboxylic acid

Conditions

Conditions	Yield
at 185 - 195℃; for 1h;	100%
at 180℃; for 1h; Neat (no solvent);	93%
at 170 - 175℃; for 2h;	89%

: 99-67-2
2-allyl-4-pentenoic acid

: 7686-77-3
3-cyclopentene-1-carboxylic acid

Conditions

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

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

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

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

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%

: 124-38-9
carbon dioxide

: 1781-66-4
cyclopent-3-enyl bromide

: 7686-77-3
3-cyclopentene-1-carboxylic acid

Conditions

Conditions	Yield
(i) Mg, Et2O, (ii) /BRN= 1900390/; Multistep reaction;
With magnesium 1.) ether, RT, 5 h; Yield given. Multistep reaction;

: 7686-78-4
diethyl 2-vinylcyclopropane-1,1-dicarboxylate

: 7686-77-3
3-cyclopentene-1-carboxylic acid

Conditions

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

: 4492-41-5
cyclopent-3-ene-1-carbonitrile

: 7686-77-3
3-cyclopentene-1-carboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide

cyclopentene-(3)-carbaldehyde-(1): cyclopentene-(3)-carbaldehyde-(1)

: 7686-77-3
3-cyclopentene-1-carboxylic acid

Conditions

Conditions	Yield
With barium dihydroxide; water; silver(l) oxide
With sodium hydroxide at 350℃;

3-Cyclopentene-1-carboxylic acid Chemical Properties

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

3-Cyclopentene-1-carboxylic acid Safety Profile

Safety Information of 3-Cyclopentene-1-carboxylic acid (CAS NO.7686-77-3):
Hazard Codes Xi Irritant
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

3-Cyclopentene-1-carboxylic acid Specification

3-Cyclopentene-1-carboxylic acid , its CAS NO. is 7686-77-3, the synonyms are 3-Cyclopentenecarboxylic acid ; Cyclopentene-1-CarboxylicAcid ; 3-Cyclopentenecarboxylic .

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