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Methyl cyclopropane carboxylate

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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 Molecular Structure of 2868-37-3 (Methyl cyclopropane carboxylate) Hazard Symbols FlammableF,HarmfulXn
Synonyms

Cyclopropanoic acid methyl ester;Methyl cyclopropane carboxylate;Methyl cyclopropanecarboxylate;

Article Data 28

Methyl cyclopropane carboxylate Synthetic route

methyl 4-((methoxysulfonyl)oxy)butyrate

2868-37-3

methyl cyclopropylcarboxylate

Conditions
ConditionsYield
With sodium methylate In methanol at 105 - 110℃; for 3.5h; Temperature;95.83%
79-20-9

acetic acid methyl ester

106-93-4

ethylene dibromide

2868-37-3

methyl cyclopropylcarboxylate

Conditions
ConditionsYield
With potassium carbonate; 1-butyl-3-methylimidazolium Tetrafluoroborate In N,N-dimethyl-formamide at 25℃; for 6h; Temperature; Concentration;94%
292638-85-8

acrylic acid methyl ester

74-95-3

1,1-dibromomethane

2868-37-3

methyl cyclopropylcarboxylate

Conditions
ConditionsYield
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%
sodium ethylene

sodium ethylene

26464-32-4, 149948-70-9, 149948-80-1

methyl 2-chlorobutanoate

A

2-ethyl-1-hexyl ester

2-ethyl-1-hexyl ester

B

2868-37-3

methyl cyclopropylcarboxylate

Conditions
ConditionsYield
In methanol; water; ethylene glycolA n/a
B 82%
1759-53-1

cyclopropanecarboxylic acid

2868-37-3

methyl cyclopropylcarboxylate

Conditions
ConditionsYield
70%
4897-84-1

Methyl 4-bromobutyrate

107-19-7

propargyl alcohol

2868-37-3

methyl cyclopropylcarboxylate

Conditions
ConditionsYield
With n-butyllithium; triphenylmethane In tetrahydrofuran; hexane at 0℃; for 1h;61%
4897-84-1

Methyl 4-bromobutyrate

107-19-7

propargyl alcohol

A

2868-37-3

methyl cyclopropylcarboxylate

B

1759-53-1

cyclopropanecarboxylic acid

Conditions
ConditionsYield
With lithium amide In diethyl ether for 4h; Heating;A 20%
B n/a
67-56-1

methanol

4023-34-1

cyclopropanecarboxylic acid chloride

2868-37-3

methyl cyclopropylcarboxylate

67-56-1

methanol

1759-53-1

cyclopropanecarboxylic acid

2868-37-3

methyl cyclopropylcarboxylate

Conditions
ConditionsYield
With sulfuric acid
With chloro-trimethyl-silane at 80℃; for 1h; Inert atmosphere;83.3 %Chromat.
With thionyl chloride at 80℃;
3153-37-5

methyl 4-chlorobutyrate

2868-37-3

methyl cyclopropylcarboxylate

Conditions
ConditionsYield
With copper(I) oxide; Cyclohexyl isocyanide
With calcium methylate at 100℃; Temperature; Autoclave; Green chemistry;170.3 g

Methyl cyclopropane carboxylate Specification

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

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