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Home > Encyclopedia > 1-BOC-5-AMINO-2,3-DIHYDRO-INDOLE

1-BOC-5-AMINO-2,3-DIHYDRO-INDOLE

1-BOC-5-AMINO-2,3-DIHYDRO-INDOLE structure

1-BOC-5-AMINO-2,3-DIHYDRO-INDOLE 

structure
  • CAS No:

    129487-92-9

  • Formula:

    C13H18N2O2

  • Chemical Name:

    1-BOC-5-AMINO-2,3-DIHYDRO-INDOLE

  • Synonyms:

    1-BOC-5-AMINO-2,3-DIHYDRO-INDOLE;tert-Butyl 5-aMinoindoline-1-carboxylate;1H-Indole-1-carboxylic acid, 5-aMino-2,3-dihydro-, 1,1-diMethylethyl ester;tert-Butyl 5-amino-2,3-dihydro-1H-indole-1-carboxylate;1-Boc-5-aMinoindoline;2-Methyl-2-Propanyl 5-Amino-1-Indolinecarboxylate;5-Amino-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester >=97%;6-Amino-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester

1-BOC-5-AMINO-2,3-DIHYDRO-INDOLE Basic Attributes

234.29

234.136826

DTXSID40623732

2933990090

Characteristics

55.6

2

1.177±0.06 g/cm3(Predicted)

385.2±41.0 °C(Predicted)

186.7±27.6 °C

1.582

Safety Information

IRRITANT

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-BOC-5-AMINO-2,3-DIHYDRO-INDOLE Use and Manufacturing

tert-butyl 5-amino-2, 3-dihvdro-indole-1 -carboxylate; 6.8 g tert-butyl 5-nitro-indole-1 -carboxylate are dissolved in 120 ml of methanol. 600 mg palladium on charcoal (10percent) are added thereto and the mixture is hydrogenated for 1.5 hours at ambient temperature. Then the catalyst is filtered off and the solvent is eliminated in vacuo. Yield: 6 g (100 percent of theory) Mass spectrum (ESIPart G. Example Vl; tert-butyl 5-amino-2, 3-dihvdro-indole-1 -carboxylate6.8 g tert-butyl 5-nitro-2, 3-dihydro-indole-1 -carboxylate are dissolved in 120 ml of methanol. To this are added 600 mg of palladium on charcoal (10percent) and the mixture is hydrogenated for 1.5 hours at ambient temperature. Then the catalyst is filtered off and the solvent is eliminated in vacuo.Yield: 6 g (100 percent of theory)Mass spectrum (ESI+): m/z = 235 [M+H]+80mg of 10percent palladium-carbon was added to a solution of 760mg (2.88mmol) of the compound obtained in the Manufacturing in 60mL of methanol, and the reaction atmosphere was exchanged to hydrogen gas atmosphere. Then, the mixture was stirred for 30 minutes at room temperature and filtrated by Celite.(R).. The filtrate was removed under reduced pressure to give 670mg (99percent) of the title compound.

Computed Properties

Molecular Weight:234.29
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:234.136827821
Monoisotopic Mass:234.136827821
Topological Polar Surface Area:55.6
Heavy Atom Count:17
Complexity:298
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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