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171049-41-5

171049-41-5 Structure

171049-41-5 Structure
IdentificationBack Directory
[Name]

7-AMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
[CAS]

171049-41-5
[Synonyms]

2-Boc-7-amino-1,2,3,4-tetrahydroisoquinoline
7-AMINO-2-BOC-1,2,3,4-TETRAHYDROISOQUINOLINE
ethyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
tert-butyl 7-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
TERT-BUTYL 7-AMINO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
7-Amino-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline
tert-butyl 7-aMino-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
7-AMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
2(1H)-Isoquinolinecarboxylic acid, 7-amino-3,4-dihydro-, 1,1-dimethylethyl ester
[Molecular Formula]

C14H20N2O2
[MDL Number]

MFCD04973401
[MOL File]

171049-41-5.mol
[Molecular Weight]

248.32
Chemical PropertiesBack Directory
[Melting point ]

59-61 °C
[Boiling point ]

394.7±42.0 °C(Predicted)
[density ]

1.145±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[pka]

4.81±0.20(Predicted)
[Appearance]

Light yellow to light brown Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xn,N
[Risk Statements ]

22-50
[Safety Statements ]

61
[RIDADR ]

UN2811
Spectrum DetailBack Directory
[Spectrum Detail]

7-AMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER(171049-41-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

tert-Butyl 7-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate

171049-42-6

7-AMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER

171049-41-5

A mixed solution of 7-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylic acid tert-butyl ester (33.2) (4.4 g, 15.81 mmol) was stirred with a mixed solution of Pd/C (500 mg, 4.69 mmol) in MeOH (100 mL) for 3 h at room temperature in an H2 atmosphere. Upon completion of the reaction, the reaction mixture was filtered to remove the catalyst. The filtrate was concentrated to afford the target product tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate (33.3) as a yellow liquid (3.8 g, 96.8% yield). The product was characterized by 1H NMR (400 MHz, CDCl3): δ 1.48 (s, 9H), 2.71 (t, 2H), 3.58 (s, 4H), 4.47 (s, 2H), 6.44 (s, 1H), 6.52 (dd, 1H), 6.91 (d, 1H).

[References]

[1] Patent: WO2016/90079, 2016, A1. Location in patent: Paragraph 00538-00539
[2] Patent: WO2009/158426, 2009, A1. Location in patent: Page/Page column 108-109
[3] Patent: US2015/231142, 2015, A1. Location in patent: Paragraph 0670
[4] Patent: US2011/98311, 2011, A1
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