Methyl cyclopent-1-ene-1-carboxylate (HCID 549129)

Names & identifiers

Preferred name: Methyl cyclopent-1-ene-1-carboxylate
IUPAC: methyl cyclopentene-1-carboxylate
English name: Methyl 1-cyclopentene-1-carboxylate
Molecular formula: C7H10O2
Molecular weight: 126.15

Names & synonyms

25662-28-6Methyl cyclopent-1-ene-1-carboxylateDTXSID10338442RefChem:817692DTXCID70289527805-986-3Methyl 1-cyclopentene-1-carboxylatemethyl cyclopent-1-enecarboxylatemethyl cyclopentene-1-carboxylateMFCD00239506Cyclopentene-1-carboxylic acid methyl ester1-Cyclopentene-1-carboxylic acid methyl ester

Show more names

1-(carboxymethoxy)cyclopentadieneMethyl 1-cyclopentenoate1-cyclopentene-1-carboxylate1-(Methoxycarbonyl)cyclopenteneMethyl 1-cyclopentenecarboxylate1-(Methoxycarbonyl)cyclopent-1-ene

1-Cyclopentene-1-carboxylic acid, methyl esterMethyl1-Cyclopentene-1-carboxylatecyclopent-1-enecarboxylic acid methyl esterSCHEMBL44118methylcyclopent-1-enecarboxylateSCHEMBL5806873SCHEMBL6966273S-2-AMINODODECANOIC ACID

Database identifiers

CAS: 25662-28-6
PubChem CID: 549129
DTXSID: DTXSID10338442
EC Number: 805-986-3
Nikkaji: J553.601D

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 147

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Boiling point: 76 · 76-78 °C/9 mmHg (lit.)
Density: 1.031 g/mL · 1.031 g/mL at 20 °C (lit.)
refractive index: 20 · n20/D 1.4660(lit.)
Flash point: 135 °F · 135 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Crystalline Powder or Low Melting Solid
color: White to pale yellow
BRN: 2040162 · 2040162
InChI: InChI=1S/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h4H,2-3,5H2,1H3
InChIKey: VTYCAXIAUKEGBQ-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)CCCC=1
CAS DataBase Reference: 25662 · 25662-28-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: Xi
Safety Statements: 23 · 23-24/25
WGK Germany: 3 · 3
F: 10 · 10-23
HS Code: 29162090 · 29162090
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety data

F: 10-23
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 29162090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 23-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P271-P280

Chemistry & industry

Applications · 2 items

UsesMethyl 1-cyclopentene-1-carboxylate may be used as starting material in the synthesis of pinnaic acid and halichlorine. It undergoes asymmetric oxidative Heck reaction with aryl boronic acids to form coupling products in the presence of chiral NHC (N-heterocyclic carbine)-palladium (II) complex.

General DescriptionMethyl 1-cyclopentene-1-carboxylate, a cyclic alkene, is a cyclopentene derivative. It participates in the synthesis of azulene derivatives by initially forming the corresponding cyclopropanol followed by oxy-Cope rearrangement.