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[ CAS No. 222714-37-6 ]

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Chemical Structure| 222714-37-6
Chemical Structure| 222714-37-6
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Product Details of [ 222714-37-6 ]

CAS No. :222714-37-6 MDL No. :MFCD06762070
Formula : C10H13NO2 Boiling Point : 281.5°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :179.22 g/mol Pubchem ID :17751895
Synonyms :

Safety of [ 222714-37-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 222714-37-6 ]

  • Upstream synthesis route of [ 222714-37-6 ]
  • Downstream synthetic route of [ 222714-37-6 ]

[ 222714-37-6 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 67-56-1 ]
  • [ 222714-37-6 ]
YieldReaction ConditionsOperation in experiment
35%
Stage #1: for 20 h; Heating / reflux
Stage #2: With sodium hydrogencarbonate In dichloromethane; water
Step D; The hydrochloride salt of the free acid (1.0 g, 4.9 mmol) was dissolved in anhydrous MeOH (150 mL) saturated with anhydrous HCl gas. The reaction mixture was then heated to reflux for 20 hours. After cooling to room temperature, the solvent was removed under reduced pressure to give a solid. The solid was taken up in methylene chloride (CH2Cl2) and washed with saturated NaHCO3. The organic was separated and dried over MgSO4, filtered and concentrated to give 0.31 g of the free base of the desired methyl ester in 35percent yield as an oil which slowly crystallized into a light brown solid. MH+=180
35% for 20 h; Heating / reflux Step D.The hydrochloride salt of the amino acid (1.0 g, 4.9mmol) was dissolved in anhydrous MeOH (150 mL) saturated with anhydrous HCl gas. The reaction mixture was then heated to reflux for 20 hours. After cooling to room temperature, the solvent was removed under reduced pressure to give a solid. The solid was taken up in methylene chloride (CH2Cl2) and washed with saturated NaHCO3. The organic was separated and dried over MgSO4, filtered and concentrated to give 0.31 g of 4-(l(S)-amino-ethyl)-benzoic acid methyl ester in 35percent yield as an oil which slowly crystallized into a light brown solid. MH+ = 180.
35%
Stage #1: for 20 h; Heating / reflux
Stage #2: With sodium hydrogencarbonate In dichloromethane; water
Step D; The intermediate from step C above (1.0 g) was dissolved in anhydrous MeOH (150 mL) saturated with anhydrous HCl gas. The reaction mixture was then heated to reflux for 20 hours. After cooling to room temperature, the solvent was removed under reduced pressure to give a solid. The solid was taken up in CH2Cl2 and washed with saturated NaHCO3. The organic was separated and dried over MgSO4, filtered and concentrated to give the title compound (0.31 g; 35percent) as an oil which slowly crystallized into a light brown solid. [MH]+=180.
Reference: [1] Patent: US2008/21024, 2008, A1, . Location in patent: Page/Page column 66
[2] Patent: WO2008/63671, 2008, A2, . Location in patent: Page/Page column 129
[3] Patent: US2007/155739, 2007, A1, . Location in patent: Page/Page column 35
  • 2
  • [ 222714-33-2 ]
  • [ 222714-37-6 ]
Reference: [1] Patent: US6455528, 2002, B1,
  • 3
  • [ 847728-90-9 ]
  • [ 222714-37-6 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 1, p. 484 - 487
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