1-(Phenylmethyl)-3-pyrrolidinol
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1-(Phenylmethyl)-3-pyrrolidinol
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CAS No:
775-15-5
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Formula:
C11H15NO
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Chemical Name:
1-(Phenylmethyl)-3-pyrrolidinol
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Synonyms:
3-Pyrrolidinol,1-(phenylmethyl)-;3-Pyrrolidinol,1-benzyl-;1-(Phenylmethyl)-3-pyrrolidinol;1-Benzyl-3-hydroxypyrrolidine;1-Benzyl-3-pyrrolidinol;N-Benzyl-3-hydroxypyrrolidine;N-Benzyl-3-pyrrolidinol;(±)-1-Benzyl-3-hydroxypyrrolidine;(RS)-N-Benzyl-3-pyrrolidinol;101979-03-7
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CAS No:
Safety Information
UN 2810 6.1/PG 3
1
25-36/37/38
26-36
T,Xi
P261-P301 + P310-P305 + P351 + P338
H301-H315-H319-H335
|Danger|H301 (95.12%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-(Phenylmethyl)-3-pyrrolidinol Use and Manufacturing
General procedure: This embodiment is 3-hydroxy-1-methyl tetrahydropyrrole preparation method, the specific steps are as follows: A 500 mL four-necked flask was charged with 250 g of a 40 wtpercent aqueous solution of monomethylamine and cooled to 10 ° C in an ice-water bath. Then, while stirring, 102 g of 1, 4-dichloro-2-butanol was added dropwise and the temperature was controlled at 15 ° C The following, about 15min drip finished; Then pour the system into 500mLAutoclave, sealed, evacuated to a pressure of 1.0 ± 0.1MPa, while heated to 120 ± 2 , the reaction was stirred for about 10h, GC control of raw materials disappear. After the reaction was over, cooled to room temperature, the material was discharged, batchwise add 110g of sodium hydroxide, release a large amount of methylamine gas, control the temperature below 50 , precipitated a lot of white solid, stirred for 1h; filtration, the filtrate layered, the upper organic phase Ethanol 100mLAnd anhydrous magnesium sulfate 18g, stirring 2 ~ 3h; and then filtered, the filtrate was concentrated in vacuo to give a yellow transparent oily liquid, and then vacuum distillation to give 46.7g of colorless and transparent 3-hydroxy-1-methyl tetrahydropyrrole , Yield 64.8percent, purity 99.3percent (HPLC).
Computed Properties
Molecular Weight:177.24
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:177.115364102
Monoisotopic Mass:177.115364102
Topological Polar Surface Area:23.5
Heavy Atom Count:13
Complexity:154
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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