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| CAS No.: | 33689-29-1 |
|---|---|
| Name: | METHYL 1-HYDROXY-1-CYCLOPROPANE CARBOXYLATE, 90 |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C5H8O3 |
| Molecular Weight: | 116.117 |
| Synonyms: | Methyl 1-hydroxycyclopropanecarboxylate;Methyl 1-hydroxy-1-cyclopropanecarboxylate; |
| Density: | 1.346 g/cm3 |
| Boiling Point: | 134.6 °C at 760 mmHg |
| Flash Point: | 44.8 °C |
| Appearance: | Clear yellow liquid |
| Risk Codes: | 11 |
| Safety: | 16 |
| PSA: | 46.53000 |
| LogP: | -0.31570 |
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- 82993-81-5D-threo-Ritalinic acid hydrochloride
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 67-56-1
methanol
- 17994-25-1
1-Hydroxy-1-cyclopropanecarboxylic acid
- 33689-29-1
1-hydroxy-cyclopropanecarboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With thionyl chloride | 98.5% |
| With thionyl chloride |
- 33689-28-0
cyclobutane-1,2-dione
- 124-41-4
sodium methylate
- 33689-29-1
1-hydroxy-cyclopropanecarboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| In methanol for 2.5h; Ambient temperature; | 76% |
- 72784-43-1
methyl 1-aminocyclopropane-1-carboxylate
- 33689-29-1
1-hydroxy-cyclopropanecarboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With sulfuric acid; sodium nitrite In water at 0℃; Reflux; | 75.5% |
- 186581-53-3, 908094-01-9
diazomethane
- 17994-25-1
1-Hydroxy-1-cyclopropanecarboxylic acid
- 33689-29-1
1-hydroxy-cyclopropanecarboxylic acid methyl ester
- 103582-19-0
3-acetoxy-3-methoxycarbonyl-1-pyrazoline
A
- 288-13-1
NH-pyrazole
B
- 33689-29-1
1-hydroxy-cyclopropanecarboxylic acid methyl ester
C
- 15366-34-4
methyl 1H-pyrazole 3-carboxylate
| Conditions | Yield |
|---|---|
| With sodium pyrazolide In xylene for 0.0833333h; Ambient temperature; Title compound not separated from byproducts; | A 0.21 g B n/a C 0.22 g D n/a |
- 17994-25-1
1-Hydroxy-1-cyclopropanecarboxylic acid
- 33689-29-1
1-hydroxy-cyclopropanecarboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With thionyl chloride; triethylamine In methanol |
- 110-87-2
3,4-dihydro-2H-pyran
- 33689-29-1
1-hydroxy-cyclopropanecarboxylic acid methyl ester
- 87326-00-9
methyl 1-((tetrahydro-2H-pyran-2-yl)oxy)cyclopropanecarboxylate
| Conditions | Yield |
|---|---|
| With pyridinium p-toluenesulfonate In dichloromethane for 3h; Ambient temperature; | 100% |
| With pyridinium p-toluenesulfonate In dichloromethane at 20℃; for 3h; | 93% |
| pyridinium p-toluenesulfonate In dichloromethane at 25℃; for 3h; | 86% |
| With pyridinium p-toluenesulfonate In dichloromethane at 23℃; for 16h; Sealed tube; | 60% |
| With pyridinium p-toluenesulfonate In dichloromethane at 20℃; | 990 mg |
- 33689-29-1
1-hydroxy-cyclopropanecarboxylic acid methyl ester
- 60703-46-0
2,4,6-trichloro-5-methoxy-pyrimidine
- 1572048-45-3
1-(2,6-dichloro-5-methoxy-pyrimidin-4-yloxy)-cyclopropanecarboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With sodium hydride In tetrahydrofuran; mineral oil at -78 - 20℃; for 2h; | 100% |
- 33689-29-1
1-hydroxy-cyclopropanecarboxylic acid methyl ester
- 74-88-4
methyl iodide
- 2790-74-1
1-methoxycyclopropanecarboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| Stage #1: 1-hydroxy-cyclopropanecarboxylic acid methyl ester With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.5h; Stage #2: methyl iodide In N,N-dimethyl-formamide; mineral oil at 20℃; for 2h; | 98% |
| Stage #1: 1-hydroxy-cyclopropanecarboxylic acid methyl ester With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.5h; Stage #2: methyl iodide In N,N-dimethyl-formamide; mineral oil at 20℃; | 98% |
| Stage #1: 1-hydroxy-cyclopropanecarboxylic acid methyl ester With sodium hydride In tetrahydrofuran at 0℃; for 0.25h; Stage #2: methyl iodide In tetrahydrofuran at 20℃; | 74% |
- 6299-25-8
4,6-Dichloro-2-(methylthio)pyrimidine
- 33689-29-1
1-hydroxy-cyclopropanecarboxylic acid methyl ester
- 1190735-24-0
C10H11ClN2O3S
| Conditions | Yield |
|---|---|
| Stage #1: 4,6-Dichloro-2-(methylthio)pyrimidine; 1-hydroxy-cyclopropanecarboxylic acid methyl ester With sodium hydride In tetrahydrofuran at 20℃; for 3h; Stage #2: With citric acid In tetrahydrofuran; water Product distribution / selectivity; | 98% |
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Specification
The Cyclopropanecarboxylic acid, 1-hydroxy-, methyl ester, with the CAS registry number 33689-29-1, is also known as Methyl 1-hydroxy-1-cyclopropanecarboxylate. This chemical's molecular formula is C5H8O3 and molecular weight is 116.12. What's more, its systematic name is methyl 1-hydroxycyclopropanecarboxylate. It should be sealed and stored in a cool, ventilated and dry place.
Physical properties of Cyclopropanecarboxylic acid, 1-hydroxy-, methyl ester are: (1)ACD/LogP: -1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.05; (4)ACD/LogD (pH 7.4): -1.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.37; (8)ACD/KOC (pH 7.4): 6.37; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 26.28 cm3; (15)Molar Volume: 86.2 cm3; (16)Polarizability: 10.41×10-24cm3; (17)Surface Tension: 59.3 dyne/cm; (18)Density: 1.346 g/cm3; (19)Flash Point: 44.8 °C; (20)Enthalpy of Vaporization: 43.35 kJ/mol; (21)Boiling Point: 134.6 °C at 760 mmHg; (22)Vapour Pressure: 3.47 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1(CC1)O
(2)InChI: InChI=1S/C5H8O3/c1-8-4(6)5(7)2-3-5/h7H,2-3H2,1H3
(3)InChIKey: KPJWVJURYXOHOO-UHFFFAOYSA-N