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| CAS No.: | 1192-79-6 |
|---|---|
| Name: | 5-METHYL-1H-PYRROLE-2-CARBALDEHYDE |
| Article Data: | 30 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H7NO |
| Molecular Weight: | 109.128 |
| Synonyms: | 5-Methyl-2-formylpyrrole; |
| Density: | 1.14 g/cm3 |
| Melting Point: | 68 °C |
| Boiling Point: | 226.1 °C at 760 mmHg |
| Flash Point: | 95.8 °C |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 32.86000 |
| LogP: | 1.13560 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
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- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
- 636-41-9
2-methyl-1H-pyrrole
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 1192-79-6
formyl-2 methyl-5 pyrrole
| Conditions | Yield |
|---|---|
| With trichlorophosphate | 70% |
| With trichlorophosphate In 1,2-dichloro-ethane 1) 0 deg C, 1 h, 2) up to r.t., 3) reflux, 30 min; | 64.5% |
| Stage #1: N,N-dimethyl-formamide With trichlorophosphate In 1,2-dichloro-ethane at 0 - 20℃; for 0.25h; Stage #2: 2-methyl-1H-pyrrole In 1,2-dichloro-ethane at 0 - 80℃; for 0.5h; Stage #3: With water; sodium acetate In 1,2-dichloro-ethane at 80℃; for 0.333333h; | 56% |
| With trichlorophosphate 1.)from 0 deg C to 20 deg C, 15 min; 2.)ethylene chloride, ethylene dichloride, 15 min, reflux; Yield given. Multistep reaction; | |
| With trichlorophosphate In 1,2-dichloro-ethane |
- 124647-46-7
N-(hydroxy-2' ethyl) amino-3 butene-2 oate d'ethyle
A
- 1192-79-6
formyl-2 methyl-5 pyrrole
B
- 17619-39-5
2-methyl-1H-pyrrole-3-carbaldehyde
C
- 124647-59-2
formyl-1 methyl-2 pyrrole
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 400℃; sealed tube; | A 30% B 23% C 9% |
| In tetrahydrofuran at 400℃; sealed tube; | A n/a B 23% C n/a |
| In tetrahydrofuran at 400℃; sealed tube; | A n/a B n/a C 9% |
| Conditions | Yield |
|---|---|
| Stage #1: N,N-dimethyl-formamide With trichlorophosphate for 0.333333h; Stage #2: 2-methyl-1H-pyrrole In 1,2-dichloro-ethane for 0.25h; Heating / reflux; Stage #3: With sodium acetate In 1,2-dichloro-ethane at 80℃; for 0.333333h; | 18% |
- 636-41-9
2-methyl-1H-pyrrole
- 60-29-7
diethyl ether
- 925-90-6
ethylmagnesium bromide
- 109-94-4
formic acid ethyl ester
- 1192-79-6
formyl-2 methyl-5 pyrrole
| Conditions | Yield |
|---|---|
| Conditions | Yield |
|---|---|
| With diethyl ether; ethylmagnesium bromide |
- 4205-23-6
D-gulose
- 56-40-6
glycine
A
- 1192-79-6
formyl-2 methyl-5 pyrrole
B
- 1121-78-4
5-Hydroxy-2-methylpyridine
C
- 1121-25-1
2-methyl-3-pyridinol
D
- 1072-83-9
2-Acetylpyrrole
| Conditions | Yield |
|---|---|
| In water at 100℃; for 24h; Product distribution; pH 2.0; other pH; times; |
- 4134-97-8, 30382-30-0, 50455-94-2, 82399-12-0, 4084-27-9
3-deoxyglucosone
- 56-40-6
glycine
A
- 1192-79-6
formyl-2 methyl-5 pyrrole
B
- 1121-78-4
5-Hydroxy-2-methylpyridine
C
- 1121-25-1
2-methyl-3-pyridinol
| Conditions | Yield |
|---|---|
| In water at 100℃; for 24h; Product distribution; pH 3.0; |
- 4429-05-4
N-(1-deoxy-D-fructos-1-yl)-L-glycine
- 56-40-6
glycine
A
- 1192-79-6
formyl-2 methyl-5 pyrrole
B
- 1121-78-4
5-Hydroxy-2-methylpyridine
C
- 1121-25-1
2-methyl-3-pyridinol
D
- 1072-83-9
2-Acetylpyrrole
| Conditions | Yield |
|---|---|
| In water at 100℃; for 24h; Product distribution; pH 3.0; |
- 64435-30-9
N5,N5,N10,N10-tetramethyl-5,10-dihydrodipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-diamine
- 77-78-1
dimethyl sulfate
- 1192-79-6
formyl-2 methyl-5 pyrrole
| Conditions | Yield |
|---|---|
| Yield given. Multistep reaction; |
- 64435-30-9
N5,N5,N10,N10-tetramethyl-5,10-dihydrodipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-diamine
- 74-88-4
methyl iodide
- 1192-79-6
formyl-2 methyl-5 pyrrole
| Conditions | Yield |
|---|---|
| Yield given. Multistep reaction; |
- Total:30 Page 1 of 1 1
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Specification
The 1H-Pyrrole-2-carboxaldehyde,5-methyl-, with the CAS registry number 1192-79-6, is also known as 5-Methyl-2-formylpyrrole. This chemical's molecular formula is C6H7NO and molecular weight is 109.1259. What's more, its systematic name is called 5-Methyl-1H-pyrrole-2-carbaldehyde.
Physical properties about this chemical are: (1)ACD/LogP: 1.10; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 4.05; (6)ACD/BCF (pH 7.4): 4.05; (7)ACD/KOC (pH 5.5): 94.7; (8)ACD/KOC (pH 7.4): 94.7; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 32.26 cm3; (15)Molar Volume: 95.6 cm3; (16)Polarizability: 12.79×10-24 cm3; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 95.8 °C; (20)Enthalpy of Vaporization: 46.26 kJ/mol; (21)Boiling Point: 226.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0835 mmHg at 25 °C.
Preparation of 1H-Pyrrole-2-carboxaldehyde,5-methyl-: this chemical can be prepared by 2-Methyl-pyrrole and N,N-Dimethyl-formamide.
This reaction needs reagent POCl3 and solvent 1,2-Dichloro-ethane at temperature of 0 °C. The reaction time is 1 hour. The yield is 64.5%.
Uses of 1H-Pyrrole-2-carboxaldehyde,5-methyl-: it is used to produce other chemicals. For example, it is used to produce 1-Acetyl-5-methylpyrrole-2-carbaldehyde.
The reaction occurs with reagent Sodium acetate and other condition of heating for 2 hours. The yield is 31%.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccc(n1)C
(2) InChI: InChI=1/C6H7NO/c1-5-2-3-6(4-8)7-5/h2-4,7H,1H3
(3) InChIKey: LFWLUDLUCDRDAF-UHFFFAOYAU