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CAS No.: | 67004-64-2 |
---|---|
Name: | 1-Methyl-2-pyrrolidineethanol |
Molecular Structure: | |
Formula: | C7H15NO |
Molecular Weight: | 129.202 |
Synonyms: | 1-Methyl-2-pyrrolidineethanol;2-(1-Methylpyrrolidin-2-yl)ethanol;2-(2-Hydroxyethyl)-1-methylpyrrolidine;2-(2-Hydroxyethyl)-N-methylpyrrolidine;2-[N-Methylpyrrolidin-2-yl]ethanol;N-Methyl-2-(2-hydroxyethyl)pyrrolidine; |
EINECS: | 266-538-5 |
Density: | 0.958 g/cm3 |
Boiling Point: | 214.045 °C at 760 mmHg |
Flash Point: | 84.444 °C |
Appearance: | clear yellow to brownish liquid |
Hazard Symbols: | Xn |
Risk Codes: | 22-38-41 |
Safety: | 26-39 |
PSA: | 23.47000 |
LogP: | 0.40090 |
methyl 2-(1-methylpyrrolidin-2-yl)acetate
2-(1-methyl-2-pyrrolidine)ethanol
Conditions | Yield |
---|---|
With methanol; sodium tetrahydroborate for 12h; Reflux; | 85% |
With methanol; sodium tetrahydroborate for 12h; Reflux; | 3.5 g |
methanol
A
2-(1-methyl-2-pyrrolidine)ethanol
B
1-(4-chloro-phenyl)-1-phenyl-ethanol
Conditions | Yield |
---|---|
Ambient temperature; 6 weeks; |
propan-1-ol
A
2-(1-methyl-2-pyrrolidine)ethanol
B
1-(4-chloro-phenyl)-1-phenyl-ethanol
C
1-Phenyl-1-(4-chlorphenyl)-ethylenglycol
D
1-methyl-2-vinylpyrrolidine
E
4-chlorobenzophenone
F
1-Phenyl-1-(4-chlorphenyl)-1-n-propoxyethan
Conditions | Yield |
---|---|
With sodium hydroxide for 53h; Heating; further time and temp.; also without n-propanol, with H2O or HCl addition; |
ethanol
A
2-(1-methyl-2-pyrrolidine)ethanol
B
1-(4-chloro-phenyl)-1-phenyl-ethanol
C
1-Chloro-4-(1-ethoxy-1-phenyl-ethyl)-benzene
Conditions | Yield |
---|---|
Ambient temperature; 6 weeks; |
(+)-2-<2-<1-(4-Chlorphenyl)-1-phenylethoxy>ethyl>-1-methylpyrroliden-hydrogenfumarat
A
2-(1-methyl-2-pyrrolidine)ethanol
B
1-(4-chloro-phenyl)-1-phenyl-ethanol
C
1-Phenyl-1-(4-chlorphenyl)-ethylenglycol
D
4-chlorobenzophenone
Conditions | Yield |
---|---|
With water Heating; |
Clemastin-hydrogenfumarat
A
2-(1-methyl-2-pyrrolidine)ethanol
B
1-(4-chlorophenyl)-1-phenylethene
C
1-(4-chloro-phenyl)-1-phenyl-ethanol
D
1-(4-Chlorphenyl)-1-(4'-hydroxyphenyl)ethen
Conditions | Yield |
---|---|
With 1H-imidazole; water; dihydrogen peroxide; MnTPFPS4PCl In methanol; dichloromethane at 20℃; for 24h; Product distribution; also without water, var. catalyst; |
Clemastin-hydrogenfumarat
A
2-(1-methyl-2-pyrrolidine)ethanol
B
1-(4-chloro-phenyl)-1-phenyl-ethanol
Conditions | Yield |
---|---|
With 1H-imidazole; dihydrogen peroxide; manganese(III)-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin chloride In methanol; dichloromethane at 20℃; for 24h; Further byproducts given; |
2-(1-methyl-2-pyrrolidine)ethanol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride; diethyl ether |
formaldehyd
2-(1-methyl-2-pyrrolidine)ethanol
Conditions | Yield |
---|---|
With water at 110 - 124℃; |
1-methyl-pyrrolidin-2-one
2-(1-methyl-2-pyrrolidine)ethanol
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1: bis(trichloromethyl) carbonate / dichloromethane / 1 h / 30 °C 2: triethylamine / dichloromethane / 7 h / 10 - 30 °C 3: sodium methylate / methanol / 1 h / Reflux 4: 5%-palladium/activated carbon; hydrogen / methanol / 24 h 5: sodium tetrahydroborate; methanol / 12 h / Reflux View Scheme | |
Multi-step reaction with 5 steps 1: bis(trichloromethyl) carbonate / dichloromethane / 1 h / 10 - 30 °C 2: triethylamine / dichloromethane / 6 h / 10 - 30 °C 3: methanol / 1 h / Reflux 4: acetic acid; sodium tetrahydroborate / 6 h / 5 - 30 °C 5: methanol; sodium tetrahydroborate / 12 h / Reflux View Scheme |
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The IUPAC name of 2-Pyrrolidineethanol,1-methyl- is 2-(1-methylpyrrolidin-2-yl)ethanol. With the CAS registry number 67004-64-2, it is also named as 2-(2-Hydroxyethyl)-1-methylpyrrolidine. The product's categories are Building Blocks; Heterocyclic Building Blocks; Pyrrolidines. It is clear yellow to brown liquid which is miscible with water. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3 ; (10)Index of Refraction: 1.469; (11)Molar Refractivity: 37.583 cm3; (12)Molar Volume: 134.848 cm3; (13)Polarizability: 14.899×10-24 cm3; (14)Surface Tension: 32.536 dyne/cm; (15)Flash Point: 84.444 °C; (16)Enthalpy of Vaporization: 52.38 kJ/mol; (17)Boiling Point: 214.045 °C at 760 mmHg; (18)Vapour Pressure: 0.035 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 129.115364; (21)MonoIsotopic Mass: 129.115364; (22)Topological Polar Surface Area: 23.5; (23)Heavy Atom Count: 9; (24)Complexity: 85.
Uses of 2-Pyrrolidineethanol,1-methyl-: It can react with 2-(4-phenylbutyl)phenol to get 1-methyl-2-{2-[2-(4-phenylbutyl)phenoxy]ethyl}pyrrolidine. This reaction needs reagent PPh3 and diethyl azodicarboxylate and solvent CH2Cl2 at ambient temperature. The yield is 52 %.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear eye / face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:CN1CCCC1CCO
2. InChI:InChI=1/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3
3. InChIKey:FYVMBPXFPFAECB-UHFFFAOYAC