No renderable structure data available
COC(C1C=C(Cl)C=C(N)C=1)=OChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | methyl 3-amino-5-chlorobenzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 21961-31-9 |
| Database ID | 52987785 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
methyl 3-amino-5-chlorobenzoate (CAS 21961-31-9) 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 52987785
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-427e231839d245ec8247ca4cf7faa13aConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-a7476a27abf5470eb3e9f85ec4472ea2Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: HATU, 38 mg (0.1 mmol), 14 mg (0.1 mmol) of HOAt, 30 mg (0.1 mmol) of Boc-Glu-OtBu hydrochloride, 0.014 ml (0.1 mmol) of triethylamine and 1 ml of dichloromethane were added to 30 mg (0.1 mmol) of methyl 5-chloro-3-aminobenzoate. The mixture was stirred at room temperature overnight.
Source ID: ord-e7fc671e4f714497ad6b80df3557a44bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 38 mg (0.1 mmol) of HATU, 14 mg (0.1 mmol) of HOAt, 30 mg (0.1 mmol) of Boc-Glu-OtBu hydrochloride, 0.014 mL (0.1 mmol) of triethylamine and 1 mL of dichloromethane were added to 30 mg (0.1 mmol) of methyl 5-chloro-3-aminobenzoate, and stirred at room temperature overnight.
Source ID: ord-4b507a098ec34025a572dc0bf0d77144Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: HATU, 38 mg (0.1 mmol), 14 mg (0.1 mmol) of HOAt, 30 mg (0.1 mmol) of Boc-Glu-OtBu hydrochloride, 0.014 ml (0.1 mmol) of triethylamine and 1 ml of dichloromethane were added to 30 mg (0.1 mmol) of methyl 5-chloro-3-aminobenzoate. The mixture was stirred at room temperature overnight.
Source ID: ord-e7fc671e4f714497ad6b80df3557a44bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: HATU, 38 mg (0.1 mmol), 14 mg (0.1 mmol) of HOAt, 30 mg (0.1 mmol) of Boc-Glu-OtBu hydrochloride, 0.014 ml (0.1 mmol) of triethylamine and 1 ml of dichloromethane were added to 30 mg (0.1 mmol) of methyl 5-chloro-3-aminobenzoate. The mixture was stirred at room temperature overnight.
Source ID: ord-e7fc671e4f714497ad6b80df3557a44bConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-427e231839d245ec8247ca4cf7faa13aConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-a7476a27abf5470eb3e9f85ec4472ea2Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 38 mg (0.1 mmol) of HATU, 14 mg (0.1 mmol) of HOAt, 30 mg (0.1 mmol) of Boc-Glu-OtBu hydrochloride, 0.014 mL (0.1 mmol) of triethylamine and 1 mL of dichloromethane were added to 30 mg (0.1 mmol) of methyl 5-chloro-3-aminobenzoate, and stirred at room temperature overnight.
Source ID: ord-3db963b932cd4f8ba37518dcd2079d25Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 38 mg (0.1 mmol) of HATU, 14 mg (0.1 mmol) of HOAt, 30 mg (0.1 mmol) of Boc-Glu-OtBu hydrochloride, 0.014 mL (0.1 mmol) of triethylamine and 1 mL of dichloromethane were added to 30 mg (0.1 mmol) of methyl 5-chloro-3-aminobenzoate, and stirred at room temperature overnight.
Source ID: ord-3db963b932cd4f8ba37518dcd2079d25Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture solution of 3-amino-5-chloro-benzoic acid methyl ester (21 g, 113.2 mmol), 3-bromo-benzaldehyde (21 g, 113.2 mmol) and p-toluenesulfonic acid (431 mg, 2.2 mmol) in toluene (200 mL) was heated to reflux for 12 hours. Then the reaction mixture was cooled to room temperature. The solvent was removed in vacuo and the residue was washed with ether to afford 3-[(3-bromo-benzylidene)-amino]-5-chloro-benzoic acid methyl ester (39.8 g, quant.) as a pale-white solid: MS calcd. for C15H11BrClNO2 353.62, obsd. (ESI+) [(M+H)+]351.9 & 353.9. to reflux for 12 hours The solvent was removed in vacuo the residue was washed with ether
Source ID: ord-0fd7e7d7d1cc463a89782b89830f53c9Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a stirred solution of 3-amino-5-chloro-benzoic acid (50 g, 291 mmol) in methanol (300 mL) was added thionyl chloride (45 mL, 605 mmol) dropwise at 0° C. Then the mixture solution was refluxed for 12 hours before cooling to room temperature. Then the reaction mixture was concentrated in vacuo and the residue was dissolved in ethyl acetate (500 mL), washed with saturated aqueous sodium bicarbonate solution (3×100 mL), dried over anhydrous sodium sulfate and concentrated in vacuo to afford 3-amino-5-chloro-benzoic acid methyl ester (54 g, quant.) as a pale-white solid: LC/MS m/e calcd for C8H8ClNO2 (M+H)+: 186.61, observed: 185.9. Then the mixture solution was refluxed for 12 hours Then the reaction mixture was concentrated in vacuo the residue was dissolved in ethyl acetate (500 mL) washed with saturated aqueous sodium bicarbonate solution (3×100 mL) dried over anhydrous sodium sulfate concentrated in vacuo
Source ID: ord-c8cc37627e17454dbb99c6d10d7ec631PubChem References
These sources are listed in the compound's public database record.
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