ChemicalBook--->CAS DataBase List--->7686-77-3

7686-77-3

7686-77-3 Structure

7686-77-3 Structure
IdentificationMore
[Name]

3-Cyclopentene-1-carboxylic acid
[CAS]

7686-77-3
[Synonyms]

3-CYCLOPENTENE-1-CARBOXYLIC ACID
3-CYCLOPENTENECARBOXYLIC ACID
CYCLOPENT-3-ENE-1-CARBOXYLIC ACID
CYCLOPENT-3-ENECARBOXYLIC ACID
TIMTEC-BB SBB008010
Cyclopentene-1-CarboxylicAcid
3-Cyclopentene-1-carboxylic acid (7CI,8CI,9CI)
3-Cyclopentenecarboxylic
Cyclopentene-1-Carboxylic
Cyclopent-3-ene-1-carboxylic acid 97%
3-CYCLOPENTEN-1-CARBOXYLIC ACID
3-Cyclopentene-1-Carhoxylic Acid
Cyclopentene-3-carboxylic acid
[EINECS(EC#)]

616-404-0
[Molecular Formula]

C6H8O2
[MDL Number]

MFCD00101764
[Molecular Weight]

112.13
[MOL File]

7686-77-3.mol
Questions And AnswerBack Directory
[Synthesis]

Regarding the synthesis of 3-Cyclopentene-1-carboxylic acid, the currently found synthetic methods start from a diene and involve an intramolecular olefin metathesis reaction catalyzed by ruthenium, yielding a cyclic monoolefin compound. In addition, there are reports of starting from dimethyl 3-cyclopenten-1,1-dicarboxylate, first by hydrolyzing the ester group under alkaline conditions, followed by a diacid decarboxylation reaction under acidic conditions to obtain the target product.

Synthesis of 7686-77-3

Chemical PropertiesBack Directory
[Appearance]

Clear colorless to slightly yellow liquid
[Boiling point ]

215 °C (lit.)
[density ]

1.084 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.469(lit.)
[Fp ]

>230 °F
[storage temp. ]

Refrigerator (+4°C)
[form ]

clear liquid
[pka]

4.62±0.20(Predicted)
[color ]

Colorless to Light yellow to Light orange
[Specific Gravity]

1.084
[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
[SMILES]

C1(C(O)=O)CC=CC1
[CAS DataBase Reference]

7686-77-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H290-H314-H315-H319-H335
[Precautionary statements ]

P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P261-P280a-P304+P340-P305+P351+P338-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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 .
[RIDADR ]

3265
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29162090
[Storage Class]

12 - Non Combustible Liquids
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless to slightly yellow liquid
[Uses]

3-Cyclopentene-1-carboxylic acid is used as an intermediate in the production of dolasetron mesylate.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Cyclopentene-1-carboxylic acid(7686-77-3)1HNMR
3-Cyclopentene-1-carboxylic acid(7686-77-3)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Cyclopentene-1-carboxylic acid, 98%(7686-77-3)
[Alfa Aesar]

3-Cyclopentene-1-carboxylic acid, 95%(7686-77-3)
[Sigma Aldrich]

7686-77-3(sigmaaldrich)
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