No renderable structure data available
CC1=C(C=C(C=C1)Cl)N2CCNCC2Chemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1-(5-chloro-2-methylphenyl)piperazine |
|---|---|
| IUPAC Name | — |
| CAS Number | 76835-20-6 |
| Database ID | 693767 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1-(5-chloro-2-methylphenyl)piperazine (CAS 76835-20-6) 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 693767
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-aed9c43d244b4f9b919da1d6be07535aConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-ba224c42be164eafaa6b9aaed3e55354Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-9683d345c6d342329ddec594227a7118Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-72790aee9cfc48e38375bc628b566dadConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-b4d0500c3f2e41e9b4190b35c9da8136Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-aed9c43d244b4f9b919da1d6be07535aConditions: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: (S)-1-[3-(4-Bromo-phenyl)-1-oxiranylmethyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone (37 mg, 0.98 mmol) and 4-(2-methyl-5-chlorophenyl)piperazine (36 mg, 0.17 mmol) were combined in EtOH (0.4 mL) and heated to 70° C. After 18 h the mixture was allowed to cool, diluted with CH2Cl2 and purified by preparative TLC (silica, 8% MeOH/CH2Cl2) to give 35 mg (61%) the title compound. HPLC (reverse phase conditions): tR=4.41 min. MS (electrospray): m/z calculated for C28H3435Cl79BrN5O2 [M++H], 586.16, found 586.2. 1H NMR (CDCl3, 400 MHz, a mixture of amide rotamers): 7.56 (d (partially obscured), J=8.5, Hz, 2H), 7.53 (s, 4H), 7.48 (d, J=8.5 Hz, 2H), 7.08 (br d, J=8.5 Hz, 1H), 6.95 (m, 2H), 4.85 and 4.73 (A and B of AB quartet, Jab=15.6 Hz, 1H), 4.62 (s, 1H), 4.20 (m, 2H), 4.04 (m, 2H), 3.90-3.71 (m, 2H), 2.92-2.53 (m, 11H), 2.21 (s, 1.5H), 2.16 (s, 1.5H). to cool purified by preparative TLC (silica, 8% MeOH/CH2Cl2)
Source ID: ord-f9fbb8fea53644c18aeee31f1757bcc0Conditions: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: (S)-1-[3-(4-Bromo-phenyl)-1-oxiranylmethyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone (37 mg, 0.98 mmol) and 4-(2-methyl-5-chlorophenyl)piperazine (36 mg, 0.17 mmol) were combined in EtOH (0.4 mL) and heated to 70° C. After 18 h the mixture was allowed to cool, diluted with CH2Cl2 and purified by preparative TLC (silica, 8% MeOH/CH2Cl2) to give 35 mg (61%) the title compound. HPLC (reverse phase conditions): tR=4.41 min. MS (electrospray): m/z calculated for C28H3435Cl79BrN5O2 [M++H], 586.16, found 586.2. 1H NMR (CDCl3, 400 MHz, a mixture of amide rotamers): 7.56 (d (partially obscured), J=8.5, Hz, 2H), 7.53 (s, 4H), 7.48 (d, J=8.5 Hz, 2H), 7.08 (br d, J=8.5 Hz, 1H), 6.95 (m, 2H), 4.85 and 4.73 (A and B of AB quartet, Jab=15.6 Hz, 1H), 4.62 (s, 1H), 4.20 (m, 2H), 4.04 (m, 2H), 3.90-3.71 (m, 2H), 2.92-2.53 (m, 11H), 2.21 (s, 1.5H), 2.16 (s, 1.5H). to cool purified by preparative TLC (silica, 8% MeOH/CH2Cl2)
Source ID: ord-f9fbb8fea53644c18aeee31f1757bcc0Conditions: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: (S)-1-[3-(4-Bromo-phenyl)-1-oxiranylmethyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone (37 mg, 0.98 mmol) and 4-(2-methyl-5-chlorophenyl)piperazine (36 mg, 0.17 mmol) were combined in EtOH (0.4 mL) and heated to 70° C. After 18 h the mixture was allowed to cool, diluted with CH2Cl2 and purified by preparative TLC (silica, 8% MeOH/CH2Cl2) to give 35 mg (61%) the title compound. HPLC (reverse phase conditions): tR=4.41 min. MS (electrospray): m/z calculated for C28H3435CI79BrN5O2 [M++H], 586.16, found 586.2. 1H NMR (CDCl3, 400 MHz, a mixture of amide rotamers): 7.56 (d (partially obscured), J=8.5, Hz, 2H), 7.53 (s, 4H), 7.48 (d, J=8.5 Hz, 2H), 7.08 (br d, J=8.5 Hz, 1H), 6.95 (m, 2H), 4.85 and 4.73 (A and B of AB quartet, Jab=15.6 Hz, 1H), 4.62 (s,1H), 4.20 (m, 2H), 4.04 (m, 2H), 3.90-3.71 (m, 2H), 2.92-2.53 (m, 11H), 2.21 (s, 1.5H), 2.16 (s, 1.5H). to cool purified by preparative TLC (silica, 8% MeOH/CH2Cl2)
Source ID: ord-e63c1263e4ae4d90bae7154246879aebConditions: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: (S)-1-[3-(4-Bromo-phenyl)-1-oxiranylmethyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone (37 mg, 0.98 mmol) and 4-(2-methyl-5-chlorophenyl)piperazine (36 mg, 0.17 mmol) were combined in EtOH (0.4 mL) and heated to 70° C. After 18 h the mixture Was allowed to cool, diluted with CH2Cl2 and purified by preparative TLC (silica, 8% MeOH/CH2Cl2) to give 35 mg (61%) the title compound. HPLC (reverse phase conditions): tR=4.41 min. MS (electrospray): m/z calculated for C28H3435Cl79BrN5O2 [M++H], 586.16, found 586.2. 1H NMR (CDCl3, 400 MHz, a mixture of amide rotamers): 7.56 (d (partially obscured), J=8.5, Hz, 2H), 7.53 (s, 4H), 7.48 (d, J=8.5 Hz, 2H), 7.08 (br d, J=8.5 Hz, 1H), 6.95 (m, 2H), 4.85 and 4.73 (A and B of AB quartet, Jab=15.6 Hz, 1H), 4.62 (s, 1H), 4.20 (m, 2H), 4.04 (m, 2H), 3.90-3.71 (m, 2H), 2.92-2.53 (m, 11H), 2.21 (s, 1.5H), 2.16 (s, 1.5H). to cool purified by preparative TLC (silica, 8% MeOH/CH2Cl2)
Source ID: ord-b5a5065731944f5aad3c4a45bf944346Conditions: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: (S)-1-[3-(4-Bromo-phenyl)-1-oxiranylmethyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone (37 mg, 0.98 mmol) and 4-(2-methyl-5-chlorophenyl)piperazine (36 mg, 0.17 mmol) were combined in EtOH (0.4 mL) and heated to 70° C. After 18 h the mixture Was allowed to cool, diluted with CH2Cl2 and purified by preparative TLC (silica, 8% MeOH/CH2Cl2) to give 35 mg (61%) the title compound. HPLC (reverse phase conditions): tR=4.41 min. MS (electrospray): m/z calculated for C28H3435Cl79BrN5O2 [M++H], 586.16, found 586.2. 1H NMR (CDCl3, 400 MHz, a mixture of amide rotamers): 7.56 (d (partially obscured), J=8.5, Hz, 2H), 7.53 (s, 4H), 7.48 (d, J=8.5 Hz, 2H), 7.08 (br d, J=8.5 Hz, 1H), 6.95 (m, 2H), 4.85 and 4.73 (A and B of AB quartet, Jab=15.6 Hz, 1H), 4.62 (s, 1H), 4.20 (m, 2H), 4.04 (m, 2H), 3.90-3.71 (m, 2H), 2.92-2.53 (m, 11H), 2.21 (s, 1.5H), 2.16 (s, 1.5H). to cool purified by preparative TLC (silica, 8% MeOH/CH2Cl2)
Source ID: ord-b5a5065731944f5aad3c4a45bf944346Conditions: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: (S)-1-[3-(4-Bromo-phenyl)-1-oxiranylmethyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone (37 mg, 0.98 mmol) and 4-(2-methyl-5-chlorophenyl)piperazine (36 mg, 0.17 mmol) were combined in EtOH (0.4 mL) and heated to 70° C. After 18 h the mixture was allowed to cool, diluted with CH2Cl2 and purified by preparative TLC (silica, 8% MeOH/CH2Cl2) to give 35 mg (61%) the title compound. HPLC (reverse phase conditions): tR=4.41 min. MS (electrospray): m/z calculated for C28H3435Cl79BrN5O2 [M++H], 586.16, found 586.2. 1H NMR (CDCl3, 400 MHz, a mixture of amide rotamers): 7.56 (d (partially obscured), J=8.5, Hz, 2H), 7.53 (s, 4H), 7.48 (d, J=8.5 Hz, 2H), 7.08 (br d, J=8.5 Hz, 1H), 6.95 (m, 2H), 4.85 and 4.73 (A and B of AB quartet, Jab=15.6 Hz, 1H), 4.62 (s, 1H), 4.20 (m, 2H), 4.04 (m, 2H), 3.90-3.71 (m, 2H), 2.92-2.53 (m, 11H), 2.21 (s, 1.5H), 2.16 (s, 1.5H). to cool purified by preparative TLC (silica, 8% MeOH/CH2Cl2)
Source ID: ord-a6b1ae0e228b45eeaae65af01db319c6PubChem References
These sources are listed in the compound's public database record.
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