Reaction #4153700
Related Literature (1)
openreactiondata ↗doi:10.1039/C8SC04228D
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-956d0d45423246b2b60341fb4141c044No renderable structure data available
CC1=CC(=C(C=C1)Br)NChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 2-bromo-5-methylaniline |
|---|---|
| IUPAC Name | — |
| CAS Number | 53078-85-6 |
| Database ID | 6422065 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-bromo-5-methylaniline (CAS 53078-85-6) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
Potential Applications
For professional research and industrial use only
Database ID 6422065
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
12 reactions · 12 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-956d0d45423246b2b60341fb4141c044Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-af3c1f5057004cb7b7c4b31434414844Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-dcf5a730b2d04e40a472fc396d84e666Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-956d0d45423246b2b60341fb4141c044Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-af3c1f5057004cb7b7c4b31434414844Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-af3c1f5057004cb7b7c4b31434414844Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-dcf5a730b2d04e40a472fc396d84e666Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared using the method of example 239, starting with 2-bromo-5-methyl-phenylamine (244) (4.48 g, 24.0 mmol), O-ethylxanthic acid, potassium salt (Lancaster, 8.70 g, 54 mmol) in DMF (35 mL). The mercaptobenzothiazole 245 was obtained as an pale brown solid (2.31 g, 53%). The title compound was prepared
Source ID: ord-8ff22b74d5244a358671dda2ca1f824eConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared using the method of example 32, starting with 1-bromo-4-methyl-2-nitro-benzene (Lancaster, 10.1 g, 46.7 mmol), tin chloride dihydrate (Aldrich, 52.8 g, 233 mmol). 8.2 g (94%) of crude compound 244 was obtained as a pale brown oil. The title compound was prepared
Source ID: ord-e0af6cf7bdeb4c28b8611fadc6597a0cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared using the method of example 32, starting with 1-bromo-4-methyl-2-nitro-benzene (Lancaster, 10.1 g, 46.7 mmol), tin chloride dihydrate (Aldrich, 52.8 g, 233 mmol). 8.2 g (94%) of crude compound 244 was obtained as a pale brown oil. The title compound was prepared
Source ID: ord-e0af6cf7bdeb4c28b8611fadc6597a0cConditions: temp:100.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 2-bromo-5-methyl-aniline (1.0 g, 5.34 mmol) and diethyl 2-(ethoxymethylene)propanedioate (1.23 g, 5.90 mmol) was heated at 100° C. for 4 h. The mixture was cooled to room temperature and concentrated under reduced pressure. The residue was then purified via silica gel column chromatography using 1 to 60% EtOAc in hexanes to yield diethyl 2-[[(2-bromo-5-methyl-phenyl)amino]methylene]propanedioate (1.6 g, 84%). 1H NMR (300 MHz, CDCl3) δ 11.19 (d, J=13.2 Hz, 1H), 8.48 (d, J=13.2 Hz, 1H), 7.43 (d, J=8.1 Hz, 1H), 7.08 (s, 1H), 6.81 (d, J=8.1 Hz, 1H), 4.37-4.23 (m, 4H), 2.35 (s, 3H), 1.42-1.25 (m, 6H). The mixture was cooled to room temperature concentrated under reduced pressure The residue was then purified via silica gel column chromatography
Source ID: ord-2b8c6de5b0bd455baeae3c9f38fa8c7eConditions: temp:100.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 2-bromo-5-methyl-aniline (1.0 g, 5.34 mmol) and diethyl 2-(ethoxymethylene)propanedioate (1.23 g, 5.90 mmol) was heated at 100° C. for 4 h. The mixture was cooled to room temperature and concentrated under reduced pressure. The residue was then purified via silica gel column chromatography using 1 to 60% EtOAc in hexanes to yield diethyl 2-[[(2-bromo-5-methyl-phenyl)amino]methylene]propanedioate (1.6 g, 84%). 1H NMR (300 MHz, CDCl3) δ 11.19 (d, J=13.2 Hz, 1H), 8.48 (d, J=13.2 Hz, 1H), 7.43 (d, J=8.1 Hz, 1H), 7.08 (s, 1H), 6.81 (d, J=8.1 Hz, 1H), 4.37-4.23 (m, 4H), 2.35 (s, 3H), 1.42-1.25 (m, 6H). The mixture was cooled to room temperature concentrated under reduced pressure The residue was then purified via silica gel column chromatography
Source ID: ord-6a143c2106404932921b6d446775fff7PubChem References
These sources are listed in the compound's public database record.
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