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166591-85-1

166591-85-1 Structure

166591-85-1 Structure
IdentificationBack Directory
[Name]

2-N-BOC-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID
[CAS]

166591-85-1
[Synonyms]

MG 310
2-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic Acid
N-Boc-1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid
REF DUPL: 2-N-Boc-1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid
2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
3,4-Dihydro-1,2(1H)-isoquinolinedicarboxylic acid 2-(1,1-dimethylethyl) ester
1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester
[Molecular Formula]

C15H19NO4
[MDL Number]

MFCD08274995
[MOL File]

166591-85-1.mol
[Molecular Weight]

277.32
Chemical PropertiesBack Directory
[Boiling point ]

436.7±45.0 °C(Predicted)
[density ]

1.222±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

3.49±0.20(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

2-N-BOC-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID (166591-85-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID

41034-52-0

Di-tert-butyl dicarbonate

24424-99-5

2-N-BOC-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID

166591-85-1

To a stirred mixture of (±)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (150 mg, 0.85 mmol) and dichloromethane (1.69 mL) was added di-tert-butyl dicarbonate (185 mg, 0.85 mmol) and triethylamine (177 μL, 1.27 mmol) sequentially at 0 °C. The reaction mixture was gradually warmed to room temperature with continuous stirring overnight. Upon completion of the reaction, the pH was adjusted to 3.0 with 1.0 N aqueous hydrochloric acid, followed by extraction of the reaction mixture with ethyl acetate (3 × 25 mL). The organic phases were combined, washed with saturated aqueous sodium chloride (50 mL), dried over anhydrous magnesium sulfate, filtered and the filtrate was concentrated under reduced pressure to afford 2-N-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (235 mg, 100% yield). Mass spectral data (m/z): 222 ([M + 2H - t-Bu]+), 300 ([M + Na]+), 577 ([2M + Na]+).

[References]

[1] Patent: WO2015/94902, 2015, A1. Location in patent: Page/Page column 22
[2] European Journal of Medicinal Chemistry, 2001, vol. 36, # 3, p. 265 - 286
[3] Journal of Medicinal Chemistry, 1993, vol. 36, # 3, p. 314 - 319
[4] Patent: US5391705, 1995, A
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