CAS No.5239-82-7,Cyclopropylacetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5239-82-7
Name:	Cyclopropylacetic acid
Article Data:	27

Formula:	C₅H₈O₂
Molecular Weight:	100.117
Synonyms:	2-Cyclopropaneaceticacid;2-Cyclopropylacetic acid;
EINECS:	-0
Density:	1.171 g/cm³
Boiling Point:	191.7 °C at 760 mmHg
Flash Point:	93.8 °C
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39-45
Transport Information:	UN 3265 8/PG 2
PSA:	37.30000
LogP:	0.87110

Synthetic route

: 5617-88-9
cyclopropyl-malonic acid

: 5239-82-7
cyclopropylacetic acid

Conditions

Conditions	Yield
at 160℃;	98%

: 6542-60-5
2-cyclopropylacetonitrile

: 5239-82-7
cyclopropylacetic acid

Conditions

Conditions	Yield
With water; potassium hydroxide In ethanol at 90℃; for 18h;	96%
With dihydrogen peroxide; sodium hydroxide In water at 0℃; for 48h; Reflux; Inert atmosphere;	83%
With dihydrogen peroxide; sodium hydroxide In water Reflux;	81%

: 75-11-6
diiodomethane

: 625-38-7
but-3-enoic acid

: 5239-82-7
cyclopropylacetic acid

Conditions

Conditions	Yield
With diethylzinc In toluene Ambient temperature;	75%
With hydrogenchloride

: 124-38-9
carbon dioxide

: 1,3-dioxoisoindolin-2-yl 2-cyclopropylacetate

A: 591-80-0
pent-4-enoic acid

B: 5239-82-7
cyclopropylacetic acid

Conditions

Conditions	Yield
With (1,2-dimethoxyethane)dichloronickel(II); 2.9-dimethyl-1,10-phenanthroline; silver fluoride In N,N-dimethyl acetamide at 20℃; under 5171.62 Torr; for 24h;	A 7% B 21%

...Expand

: 186581-53-3, 908094-01-9
diazomethane

: 4023-34-1
cyclopropanecarboxylic acid chloride

: 5239-82-7
cyclopropylacetic acid

Conditions

Conditions	Yield
With diethyl ether Erwaermen des Reaktionsprodukts mit Ag2O in Methanol und mit wss. KOH;

: 56105-19-2
2-cyclopropylacetaldehyde

: 5239-82-7
cyclopropylacetic acid

Conditions

Conditions	Yield
With silver(l) oxide

: 14902-14-8
-triphenyl-phosphoran

: 5239-82-7
cyclopropylacetic acid

Conditions

Conditions	Yield
With sodium hydroxide

: 7379-74-0
β-vinyl-β-propiolactone

: 5239-82-7
cyclopropylacetic acid

Conditions

Conditions	Yield
With 9-borabicyclo[3.3.1]nonane dimer; sodium methylate 1.) THF, r.t., 6 h; 2.) r.t., 12 h; Yield given. Multistep reaction;

: 128871-21-6
cyclopropylketene

: 5239-82-7
cyclopropylacetic acid

Conditions

Conditions	Yield
With water Rate constant;

: 124-38-9
carbon dioxide

: 7051-34-5
cyclopropylcarbinyl bromide

A: 591-80-0
pent-4-enoic acid

B: 5239-82-7
cyclopropylacetic acid

Conditions

Conditions	Yield
With magnesium In tetrahydrofuran at -120 - -30℃; Yield given. Yields of byproduct given;

...Expand

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Specification

The Cyclopropylacetic acid, with the CAS registry number 5239-82-7, is also known as Cyclopropyl acetic acid. This chemical's molecular formula is C₅H₈O₂ and molecular weight is 100.12. What's more, its IUPAC name is called 2-Cyclopropylacetic acid. It should be stored in a cool, dry and well-ventilated place.

Physical properties about Cyclopropylacetic acid are: (1)ACD/LogP: 0.578; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -2.03; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 7.57; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 24.726 cm³; (15)Molar Volume: 85.437 cm³; (16)Surface Tension: 49.00 dyne/cm; (17)Density: 1.172 g/cm³; (18)Flash Point: 93.757 °C; (19)Enthalpy of Vaporization: 47.172 kJ/mol; (20)Boiling Point: 191.73 °C at 760 mmHg; (21)Vapour Pressure: 0.22 mmHg at 25 °C.

Preparation of Cyclopropylacetic acid: this chemical can be prepared by Cyclopropyl-acetonitrile. This reaction needs reagent 25percent aq. NaOH at temperature of 130-140 °C. The reaction time is 7 hours.

Cyclopropylacetic acid can be prepared by Cyclopropyl-acetonitrile.

Uses of Cyclopropylacetic acid: it is used to produce other chemicals. For example, it can react with 1-Hydroxy-1H-pyridine-2-thione to get 1-{[(Cyclopropylmethyl)carbonyl]oxy}-2(1H)-pyridinethione. The reaction occurs with reagents p-(dimethylamino)pyridine, dicyclohexylcarbodiimide and solvent CH₂Cl₂ at ambient temperature. The yield is 45 %.

Cyclopropylacetic acid can react with 1-Hydroxy-1H-pyridine-2-thione to get 1-{[(Cyclopropylmethyl)carbonyl]oxy}-2(1H)-pyridinethione.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes and may destroy living tissue on contacting. What's more, it may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes or skin, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC1CC1
(2) InChI: InChI=1S/C5H8O2/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H,6,7)
(3) InChIKey: KVVDRQDTODKIJD-UHFFFAOYSA-N