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Cas Database |
| Name |
2-Methylpyrrole |
EINECS | 211-255-4 |
| CAS No. | 636-41-9 | Density | 0.965 g/cm3 |
| PSA | 15.79000 | LogP | 1.32310 |
| Solubility | N/A | Melting Point |
-35.6°C |
| Formula | C5H7N | Boiling Point | 147.5 °C at 760 mmHg |
| Molecular Weight | 81.1173 | Flash Point | 47.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Methyl pyrrole; |
Article Data | 96 |
2-Methylpyrrole Synthetic route
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride | 87% |
| Stage #1: 2-pyrrole aldehyde With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; Reflux; Stage #2: With water In tetrahydrofuran at 0℃; | 77% |
| With lithium aluminium tetrahydride In tetrahydrofuran | 75% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethylene glycol at 180 - 185℃; for 6h; Decarboxylation; | 81% |
| With phosphoric acid |
- 74-86-2
acetylene
- 127-06-0
acetone oxime
A
- 636-41-9
2-methyl-1H-pyrrole
B
- 57807-64-4
1-vinyl-2-methylpyrrole
C
- 5883-10-3
acetone oxime O-vinyl ether
| Conditions | Yield |
|---|---|
| Stage #1: acetone oxime With potassium hydroxide In dimethyl sulfoxide at 110 - 115℃; for 0.0833333h; Metallation; Stage #2: acetylene In dimethyl sulfoxide at 74℃; for 0.5h; Addition; Cyclisation; Vinylation; | A 8% B n/a C 65.9% |
| With potassium hydroxide In dimethyl sulfoxide at 77℃; for 0.1h; Addition; Cyclisation; Vinylation; | A 0.2% B 12.7% C 38.2% |
- 80288-20-6
(2Z,4Z)-6-Methanesulfonyloxy-3-methyl-hexa-2,4-dienoic acid methyl ester
- 636-41-9
2-methyl-1H-pyrrole
| Conditions | Yield |
|---|---|
| With sodium azide In N,N-dimethyl-formamide for 20h; Ambient temperature; | 48% |
- 107-06-2
1,2-dichloro-ethane
- 127-06-0
acetone oxime
A
- 636-41-9
2-methyl-1H-pyrrole
B
- 57807-64-4
1-vinyl-2-methylpyrrole
C
- 92670-19-4
2,9-dimethyl-4,7-dioxa-3,8-diaza-2,8-decadiene
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 112 - 125℃; for 3.5h; Product distribution; var. time, var. temperatures; | A 30% B 1% C 2% |
| With potassium hydroxide In dimethyl sulfoxide at 115 - 125℃; for 0.5h; Title compound not separated from byproducts; | A 24% B 8% C 1% |
- 124706-35-0
1-(1-Piperidin-1-yl-cyclopropyl)-ethylideneamine
- 636-41-9
2-methyl-1H-pyrrole
| Conditions | Yield |
|---|---|
| With tetrafluoroboric acid dimethyl ether complex In xylene for 0.25h; Heating; | 10% |
- 67-64-1
acetone
- 74-86-2
acetylene
- 127-06-0
acetone oxime
A
- 636-41-9
2-methyl-1H-pyrrole
B
- 5883-10-3
acetone oxime O-vinyl ether
C
- 1169876-90-7
C8H13NO
| Conditions | Yield |
|---|---|
| With potassium hydroxide In dimethyl sulfoxide at 70 - 90℃; Autoclave; | A n/a B n/a C 7% |
- 54565-19-4
propan-2-one oxime; potassium salt
- 74-86-2
acetylene
A
- 636-41-9
2-methyl-1H-pyrrole
B
- 57807-64-4
1-vinyl-2-methylpyrrole
C
- 119830-62-5
1-(2-methyl-5-pyrrolyl)-1-(1-vinyl-2-methyl-5-pyrrolyl)ethane
D
- 73649-00-0
1,1-di(2-methyl-5-pyrrolyl)ethane
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 95℃; atmospheric pressure; | A n/a B n/a C 0.08% D 0.09% |
- 54565-19-4
propan-2-one oxime; potassium salt
- 74-86-2
acetylene
A
- 636-41-9
2-methyl-1H-pyrrole
B
- 57807-64-4
1-vinyl-2-methylpyrrole
C
- 73649-00-0
1,1-di(2-methyl-5-pyrrolyl)ethane
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 95℃; atmospheric pressure; | A n/a B n/a C 0.09% |
| Conditions | Yield |
|---|---|
| leiten ueber ein Gemisch von Titan(IV)-oxid und Aluminiumoxid bei 600grad; |
2-Methylpyrrole Specification
The 1H-Pyrrole, 2-methyl-, with the CAS registry number of 636-41-9, is also known as Methyl pyrrole. Its EINECS registry number is 211-255-4. This chemical's molecular formula is C5H7N and molecular weight is 81.12. What's more, its IUPAC name is 2-Methyl-1H-pyrrole.
Physical properties about the 1H-Pyrrole, 2-methyl- are: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 4.89; (6)ACD/BCF (pH 7.4): 4.89; (7)ACD/KOC (pH 5.5): 108.46; (8)ACD/KOC (pH 7.4): 108.46; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 25.51 cm3; (15)Molar Volume: 84 cm3; (16)Surface Tension: 35 dyne/cm; (17)Density: 0.965 g/cm3; (18)Flash Point: 47.2 °C; (19)Enthalpy of Vaporization: 36.86 kJ/mol; (20)Boiling Point: 147.5 °C at 760 mmHg; (21)Vapour Pressure: 5.6 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1(cccn1)C
(2) InChI: InChI=1/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3
(3) InChIKey: TVCXVUHHCUYLGX-UHFFFAOYAZ
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