Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl cyclopropane carboxylate |
EINECS | 220-690-9 |
CAS No. | 2868-37-3 | Density | 1.102 g/cm3 |
PSA | 26.30000 | LogP | 0.56940 |
Solubility | Not miscible or difficult to mix in water. | Melting Point |
N/A |
Formula | C5H8O2 | Boiling Point | 117.825 °C at 760 mmHg |
Molecular Weight | 100.117 | Flash Point | 17.778 °C |
Transport Information | UN 1992 3/PG 2 | Appearance | Clear colourless liquid |
Safety | 16-26-36-9-33-29 | Risk Codes | 11-21/22-36 |
Molecular Structure | Hazard Symbols | F,Xn | |
Synonyms |
Cyclopropanoic acid methyl ester;Methyl cyclopropane carboxylate;Methyl cyclopropanecarboxylate; |
Article Data | 28 |
methyl cyclopropylcarboxylate
Conditions | Yield |
---|---|
With sodium methylate In methanol at 105 - 110℃; for 3.5h; Temperature; | 95.83% |
Conditions | Yield |
---|---|
With potassium carbonate; 1-butyl-3-methylimidazolium Tetrafluoroborate In N,N-dimethyl-formamide at 25℃; for 6h; Temperature; Concentration; | 94% |
Conditions | Yield |
---|---|
With sodium iodide; nickel dibromide; zinc In tetrahydrofuran at 0℃; for 24h; | 90% |
With tetrakis(triphenylphosphine)nickel(0); zinc dibromide; zinc In tetrahydrofuran for 46h; Product distribution; Mechanism; Ambient temperature; other olefins, other catalytic systems, var. time, var. temp., var. conc., var. solvents; | 86% |
methyl 2-chlorobutanoate
B
methyl cyclopropylcarboxylate
Conditions | Yield |
---|---|
In methanol; water; ethylene glycol | A n/a B 82% |
diazomethane
cyclopropanecarboxylic acid
methyl cyclopropylcarboxylate
Conditions | Yield |
---|---|
70% |
Conditions | Yield |
---|---|
With n-butyllithium; triphenylmethane In tetrahydrofuran; hexane at 0℃; for 1h; | 61% |
Methyl 4-bromobutyrate
propargyl alcohol
A
methyl cyclopropylcarboxylate
B
cyclopropanecarboxylic acid
Conditions | Yield |
---|---|
With lithium amide In diethyl ether for 4h; Heating; | A 20% B n/a |
Conditions | Yield |
---|---|
With sulfuric acid | |
With chloro-trimethyl-silane at 80℃; for 1h; Inert atmosphere; | 83.3 %Chromat. |
With thionyl chloride at 80℃; |
Conditions | Yield |
---|---|
With copper(I) oxide; Cyclohexyl isocyanide | |
With calcium methylate at 100℃; Temperature; Autoclave; Green chemistry; | 170.3 g |
The Methyl cyclopropane carboxylate, with the CAS registry number 2868-37-3, is also known as Methyl cyclopropanecarboxylate. It belongs to the product categories of Pharmaceutical Intermediates; Cyclopropanes; Simple 3-Membered Ring Compounds. Its EINECS number is 220-690-9. This chemical's molecular formula is C5H8O2 and molecular weight is 100.12. What's more, its systematic name is Methyl cyclopropanecarboxylate. This chemical should be sealed and stored in a cool and dry place. It is used as pharmaceutical intermediates.
Physical properties of Methyl cyclopropane carboxylate are: (1)ACD/LogP: 0.666; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.89; (6)ACD/BCF (pH 7.4): 1.89; (7)ACD/KOC (pH 5.5): 54.90; (8)ACD/KOC (pH 7.4): 54.90; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 24.786 cm3; (15)Molar Volume: 90.852 cm3; (16)Polarizability: 9.826×10-24cm3; (17)Surface Tension: 37.0 dyne/cm; (18)Density: 1.102 g/cm3; (19)Flash Point: 17.778 °C; (20)Enthalpy of Vaporization: 35.25 kJ/mol; (21)Boiling Point: 117.825 °C at 760 mmHg; (22)Vapour Pressure: 17.1 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes and is harmful in contact with skin and if swallowed. You should keep the container in a well-ventilated place. You must take precautionary measures against static discharges and not empty it into drains. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C1CC1
(2)Std. InChI: InChI=1S/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3
(3)Std. InChIKey: PKAHQJNJPDVTDP-UHFFFAOYSA-N