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Chemical Structure| 63720-38-7 Chemical Structure| 63720-38-7

Structure of 63720-38-7

Chemical Structure| 63720-38-7

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Product Details of [ 63720-38-7 ]

CAS No. :63720-38-7
Formula : C8H11NO
M.W : 137.18
SMILES Code : CC(N)C1=CC=CC(O)=C1
MDL No. :MFCD09046528
InChI Key :WFRNDUQAIZJRPZ-UHFFFAOYSA-N
Pubchem ID :12347986

Safety of [ 63720-38-7 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314-H335
Precautionary Statements:P260-P261-P264-P271-P280-P301+P310+P330+P331-P303+P361+P353+P310-P304+P340+P310-P305+P351+P338+P310-P363-P403+P233-P405-P501
Class:8
UN#:3259
Packing Group:

Application In Synthesis of [ 63720-38-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 63720-38-7 ]

[ 63720-38-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 50919-07-8 ]
  • [ 63720-38-7 ]
YieldReaction ConditionsOperation in experiment
Example 9: Preparation of 3-((S)- l-aminoethyl)phenolAbout 12 gm of residue obtained in the example 8 was charged with 60 ml of 48% aqueous HBr solution in a round bottom flask and stirred for 10 min. The reaction mixture was heated to reflux at 125-135C and maintained for 12-14 hours. After completion of the reaction, the reaction mixture was cooled to 25-35 C. The reaction mixture was washed with toluene (3X10ml). Water (10 ml) was added to the reaction mixture and cooled to 0-5C, under cooling adjust the pH to 10-12 with caustic lye (22 ml) for the material formation and stirred for 1 hour, filtered and washed with water (10 ml) and dried to obtain 8.2 gm of the title compound as dry compound.
  • 2
  • [ 50-00-0 ]
  • [ 63720-38-7 ]
  • [ 105601-04-5 ]
YieldReaction ConditionsOperation in experiment
83% With hydrogen;nickel; In methanol; at 80℃; under 7355.72 Torr; for 3 - 4h;Product distribution / selectivity; Example 1: Preparation of alpha-m-hydroxy phenylethyldimethylamine; N-methylation was carried out on alpha-m-hydroxy phenylethylamine (25g) with Paraformaldehyde (33g) in presence of Raney Nickel (3Og) in methanol (500ml) at 800C and 10kg /cm2 of hydrogen pressure in an autoclave. After 3-4 hours the product was isolated by removing Raney nickel and concentrating the filtrate. The product was further purified by dissolving the crude product in Toluene (50ml) and is crystallized by slow addition of Petroleum ether (150ml). Pure alpha-m-hydroxy phenylethyldimethylamine is isolated (25g, Yield: 83%, purity 98%) by filtration.Characterization data:1H-NMR (DMSO): 9.25(1H, s)/ 7.05(1H, t), 6.60(3H, m), 3.08(1H, q), 2.05(6H, s), 1.19(3H, d) 13C-NMR (DMSO): 158.0, 146.7, 129.8, 118.7, 114.8, 114.5, 65.8, 43.6, 20.9. Mass(Methanol) : 166.2 (M+l)
83% With hydrogen;Raney Nickel; In methanol; at 80℃; under 7355.72 Torr; for 3 - 4h;Product distribution / selectivity; Example 1 Preparation of alpha-m-hydroxy phenylethyldimethylamine N-methylation was carried out on alpha-m-hydroxy phenylethylamine (25 g) with Paraformaldehyde (33 g) in presence of Raney Nickel (30 g) in methanol (500 ml) at 80 C. and 10 kg/cm2 of hydrogen pressure in an autoclave. After 3-4 hours the product was isolated by removing Raney nickel and concentrating the filtrate. The product was further purified by dissolving the crude product in Toluene (50 ml) and is crystallized by slow addition of Petroleum ether (150 ml). Pure alpha-m-hydroxy phenylethyldimethylamine is isolated (25 g, Yield: 83%, purity 98%) by filtration. Characterization Data: 1H-NMR (DMSO): 9.25(1H, s), 7.05(1H, t), 6.60(3H, m), 3.08(1H, q), 2.05(6H, s), 1.19(3H, d) 13C-NMR (DMSO): 158.0, 146.7, 129.8, 118.7, 114.8, 114.5, 65.8, 43.6, 20.9. Mass (Methanol): 166.2 (M+1)
70% With formic acid; at 90℃; for 10 - 12h; N-Alkylation was carried on 3-hydroxy-l-phenylethylamine (lOgm) with 2 eq. of formaldehyde and 4 eq. of formic acid. The reaction was carried at 9O0C for 10-12 hours. The reaction mixture was neutralized with caustic solution and extracted with ethyl acetate (3 X 50 1). Further concentration gave the desired product with 70% yield. Yield: 80-90 gms %Yield: 70% HPLC Purity: 97%.
 

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[ 63720-38-7 ]

Chemical Structure| 1181458-80-9

A831222 [1181458-80-9]

3-(1-Aminoethyl)phenol hydrochloride

Reason: Free-salt