No renderable structure data available
CC1(CC(C2=CC=CC=C2O1)N)CChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 2,2-dimethyl-3,4-dihydrochromen-4-amine |
|---|---|
| IUPAC Name | — |
| CAS Number | 220634-41-3 |
| Database ID | 15338705 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2,2-dimethyl-3,4-dihydrochromen-4-amine (CAS 220634-41-3) 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 15338705
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-e93646cf4983461ba4f64975a381dbdaConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared from Intermediate 2 (250 mg, 0.965 mmol) and 4-(4-methoxy-1-naphthyl)-4-oxobutanoic acid (274 mg, 1.062 mmol) in presence of EDCI.HCl (277 mg, 1.451 mmol), HOBt (221 mg, 1.459 mmol) and triethylamine (403 μl, 2.905 mmol) in dichloromethane (10 ml) as described in Example 1 to give 311 mg of the product as a white solid; IR (KBr) 3204, 2972, 1632, 1523, 1230, 757 cm−1; 1H NMR (300 MHz, CDCl3) δ 1.67-1.73 (m, 2H), 2.06-2.31 (m, 6H), 2.66-2.71 (m, 2H), 3.31-3.39 (m, 2H), 4.05 (s, 3H), 5.05 (br s, 1H), 6.77 (d, J=9.0 Hz, 1H), 7.03 (d, J=8.4 Hz, 1H), 7.14 (d, J=8.4 Hz, 1H), 7.20 (s, 1H), 7.53-7.61 (m, 2H), 8.20-8.28 (m, 2H), 8.43 (d, J=8.4 Hz, 1H), 8.86 (d, J=8.7 Hz, 1H); ESI-MS (m/z) 464.17 (M+H)+.
Source ID: ord-4ed6c398a2284c95bd8a941165ed4abdConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared from Intermediate 2 (200 mg, 0.772 mmol) and 4-(2-cyclopentyloxy-3-methoxyphenyl)butanoic acid (214 mg, 0.772 mmol) in presence of EDCI.HCl (222 mg, 1.158 mmol), HOBt (118 mg, 0.772 mmol) and triethylamine (273 μl, 2.702 mmol) in dichloromethane (10 ml) as described in Example 1 to give 210 mg of the product as a white solid; IR (KBr) 3019, 2970, 1665, 1475, 1215, 769 cm−1; 1H NMR (300 MHz, CDCl3) δ 1.70-1.80 (m, 11H), 1.97-2.04 (m, 2H), 2.14-2.20 (m, 5H), 2.30-2.42 (m, 2H), 2.71 (t, J=6.9 Hz, 2H), 3.81 (s, 3H), 4.80 (br s, 1H), 5.24 (br s, 1H), 5.55 (d, J=8.7 Hz, 1H), 6.70-6.77 (m, 3H), 6.94 (t, J=7.2 Hz, 1H), 7.06 (d, J=9.9 Hz, 2H); ESI-MS (m/z) 482.44 (M−H)−.
Source ID: ord-3e2eaeac9faf4f4b90c7a8f66821ec9bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared from Intermediate 2 (200 mg, 0.772 mmol) and 4-(2-cyclopentyloxy-3-methoxyphenyl)butanoic acid (214 mg, 0.772 mmol) in presence of EDCI.HCl (222 mg, 1.158 mmol), HOBt (118 mg, 0.772 mmol) and triethylamine (273 μl, 2.702 mmol) in dichloromethane (10 ml) as described in Example 1 to give 210 mg of the product as a white solid; IR (KBr) 3019, 2970, 1665, 1475, 1215, 769 cm−1; 1H NMR (300 MHz, CDCl3) δ 1.70-1.80 (m, 11H), 1.97-2.04 (m, 2H), 2.14-2.20 (m, 5H), 2.30-2.42 (m, 2H), 2.71 (t, J=6.9 Hz, 2H), 3.81 (s, 3H), 4.80 (br s, 1H), 5.24 (br s, 1H), 5.55 (d, J=8.7 Hz, 1H), 6.70-6.77 (m, 3H), 6.94 (t, J=7.2 Hz, 1H), 7.06 (d, J=9.9 Hz, 2H); ESI-MS (m/z) 482.44 (M−H)−.
Source ID: ord-3e2eaeac9faf4f4b90c7a8f66821ec9bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared from Intermediate 2 (150 mg, 0.579 mmol) and 4-(2-cyclopentyloxyphenyl)butanoic acid (158 mg, 0.639 mmol) in presence of EDCI.HCl (166 mg, 0.863 mmol), HOBt (133 mg, 0.863 mmol) and triethylamine (241 μl, 2.043 mmol) in dichloromethane (5 ml) as described in Example 1 to give 153 mg of the product as a white solid; IR (KBr) 3300, 2943, 1646, 1474, 1238, 749 cm−1; 1H NMR (300 MHz, CDCl3) δ 1.70-2.00 (m, 12H), 2.24-2.41 (m, 7H), 2.64-2.70 (m, 2H), 3.47 (s, 1H), 4.75 (br s, 1H), 5.25 (d, J=6.0 Hz, 1H), 5.50 (d, J=6.9 Hz, 1H), 6.71 (d, J=8.4 Hz, 1H), 6.79-6.85 (m, 2H), 7.05-7.12 (m, 4H); ESI-MS (m/z) 454.30 (M)+.
Source ID: ord-6ec80392ddbd4ced97f8935a0323a938Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared from Intermediate 2 (200 mg, 0.896 mmol) and 3-dibenzo[b,d]furan-4-ylpropanoic acid (214 mg, 0.896 mmol) in presence of EDCI.HCl (256 mg, 1.345 mmol), HOBt (205 mg, 1.345 mmol) and triethylamine (371 μl, 2.690 mmol) in dichloromethane (10 ml) as described in Example 1 for 4 h to give 215 mg of the product as a white solid; 1H NMR (300 MHz, CDCl3) δ 1.81-1.91 (m, 3H), 2.08-2.13 (m, 3H), 2.17-2.26 (m, 2H), 2.72-2.79 (m, 2H), 3.35-3.41 (m, 2H), 5.16 (q, J=9.3 Hz, 1H), 5.44 (d, J=8.7 Hz, 1H), 6.63 (d, J=8.7 Hz, 1H), 6.82 (s, 1H), 6.99 (dd, J=6.3, 1.8 Hz, 1H), 7.28-7.33 (m, 3H), 7.42 (t, J=6.9 Hz, 1H), 7.53 (d, J=8.7 Hz, 1H), 7.82 (d, J=6.3 Hz, 1H), 7.91 (d, J=8.7 Hz, 1H); ESI-MS (m/z) 446.29 (M+H)+.
Source ID: ord-0c5e1d3df4344c4d932ba0273d31d7acConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared from Intermediate 2 (200 mg, 0.896 mmol) and 3-dibenzo[b,d]furan-4-ylpropanoic acid (214 mg, 0.896 mmol) in presence of EDCI.HCl (256 mg, 1.345 mmol), HOBt (205 mg, 1.345 mmol) and triethylamine (371 μl, 2.690 mmol) in dichloromethane (10 ml) as described in Example 1 for 4 h to give 215 mg of the product as a white solid; 1H NMR (300 MHz, CDCl3) δ 1.81-1.91 (m, 3H), 2.08-2.13 (m, 3H), 2.17-2.26 (m, 2H), 2.72-2.79 (m, 2H), 3.35-3.41 (m, 2H), 5.16 (q, J=9.3 Hz, 1H), 5.44 (d, J=8.7 Hz, 1H), 6.63 (d, J=8.7 Hz, 1H), 6.82 (s, 1H), 6.99 (dd, J=6.3, 1.8 Hz, 1H), 7.28-7.33 (m, 3H), 7.42 (t, J=6.9 Hz, 1H), 7.53 (d, J=8.7 Hz, 1H), 7.82 (d, J=6.3 Hz, 1H), 7.91 (d, J=8.7 Hz, 1H); ESI-MS (m/z) 446.29 (M+H)+.
Source ID: ord-0c5e1d3df4344c4d932ba0273d31d7acConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared from Intermediate 2 (200 mg, 0.769 mmol)) and 3-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid (191 mg, 0.923 mmol) in presence of EDCI.HCl (221 mg, 1.153 mmol), HOBt (176 mg, 1.153 mmol) and triethylamine (321 μl, 2.307 mmol) in dichloromethane (10 ml) as described in Example 1 to give 141 mg of the product as a white solid; IR (KBr) 3276, 2935, 1639, 1474, 1262, 1094 cm−1; 1H NMR (300 MHz, CDCl3) δ 1.63-1.71 (m, 3H), 1.89 (br s, 1H), 2.13-2.27 (m, 2H), 2.33-2.37 (m, 2H), 2.57 (t, J=7.5 Hz, 2H), 2.96 (t, J=6.9 Hz, 2H), 4.19 (d, J=6.3 Hz, 4H), 5.19 (q, J=8.7 Hz, 1H), 5.62 (d, J=8.1 Hz, 1H), 6.69-6.74 (m, 4H), 6.95 (s, 1H), 7.05 (d, J=8.1 Hz, 1H); ESI-MS (m/z) 414.47 (M+H)+.
Source ID: ord-84a5006a8ef542c98069945b16d030baConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared from Intermediate 2 (200 mg, 0.769 mmol)) and 3-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid (191 mg, 0.923 mmol) in presence of EDCI.HCl (221 mg, 1.153 mmol), HOBt (176 mg, 1.153 mmol) and triethylamine (321 μl, 2.307 mmol) in dichloromethane (10 ml) as described in Example 1 to give 141 mg of the product as a white solid; IR (KBr) 3276, 2935, 1639, 1474, 1262, 1094 cm−1; 1H NMR (300 MHz, CDCl3) δ 1.63-1.71 (m, 3H), 1.89 (br s, 1H), 2.13-2.27 (m, 2H), 2.33-2.37 (m, 2H), 2.57 (t, J=7.5 Hz, 2H), 2.96 (t, J=6.9 Hz, 2H), 4.19 (d, J=6.3 Hz, 4H), 5.19 (q, J=8.7 Hz, 1H), 5.62 (d, J=8.1 Hz, 1H), 6.69-6.74 (m, 4H), 6.95 (s, 1H), 7.05 (d, J=8.1 Hz, 1H); ESI-MS (m/z) 414.47 (M+H)+.
Source ID: ord-84a5006a8ef542c98069945b16d030baConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared from Intermediate 2 (150 mg, 0.679 mmol) and 3-(1,3-benzodioxol-4-yl)propanoic acid (169 mg, 0.892 mmol) in presence of EDCI.HCl (192 mg, 1.005 mmol), HOBt (154 mg, 1.005 mmol) and triethylamine (135 μl, 1.341 mmol) in dichloromethane (10 ml) as described in Example 1 to give 137 mg of the product as a white solid; IR (KBr) 3314, 2940, 1640, 1456, 1243, 1064 cm−1; 1H NMR (300 MHz, CDCl3) δ 1.63-1.72 (m, 2H), 1.85-1.89 (m, 1H), 2.04-2.17 (m, 3H), 2.27-2.37 (m, 2H), 2.58 (t, J=6.9 Hz, 2H), 2.96-3.02 (m, 2H), 5.20 (q, J=9.3 Hz, 1H), 5.54 (d, J=8.7 Hz, 1H), 5.87 (d, J=8.7 Hz, 2H), 6.69-6.80 (m, 4H), 6.92 (s, 1H), 7.05 (d, J=8.7 Hz, 1H).
Source ID: ord-dddb726505664d459f622c8185eceaf2Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared from Intermediate 2 (200 mg, 0.896 mmol) and 3-(2-methyl, 7-methoxy-1-benzofuran-4-yl)propanoic acid (209 mg, 0.896 mmol) in presence of EDCI.HCl (256 mg, 1.345 mmol), HOBt (205 mg, 1.345 mmol) and triethylamine (371 μl, 2.690 mmol) in dichloromethane (10 ml) as described in Example 1 for 4 h to give 60 mg of the product as a white solid; IR (KBr) 3395, 2972, 1642, 1515, 1423, 1235, 775 cm−1; 1H NMR (300 MHz, CDCl3) δ 1.41-1.61 (m, 4H), 1.90-1.98 (m, 4H), 2.46 (s, 3H), 2.55-2.62 (m, 2H), 3.96 (s, 3H), 5.10-5.16 (m, 1H), 5.26 (d, J=8.4 Hz, 2H), 6.40-6.46 (m, 1H), 6.60-6.70 (m, 3H), 6.83 (s, 1H), 6.91 (d, J=7.8 Hz, 1H), 7.02 (d, J=7.5 Hz, 1H); ESI-MS (m/z) 395.63 (M+H)+.
Source ID: ord-c4d62f6d07d3430da7f3a74904a6042aConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared from Intermediate 2 (200 mg, 0.896 mmol) and 3-(2-methyl, 7-methoxy-1-benzofuran-4-yl)propanoic acid (209 mg, 0.896 mmol) in presence of EDCI.HCl (256 mg, 1.345 mmol), HOBt (205 mg, 1.345 mmol) and triethylamine (371 μl, 2.690 mmol) in dichloromethane (10 ml) as described in Example 1 for 4 h to give 60 mg of the product as a white solid; IR (KBr) 3395, 2972, 1642, 1515, 1423, 1235, 775 cm−1; 1H NMR (300 MHz, CDCl3) δ 1.41-1.61 (m, 4H), 1.90-1.98 (m, 4H), 2.46 (s, 3H), 2.55-2.62 (m, 2H), 3.96 (s, 3H), 5.10-5.16 (m, 1H), 5.26 (d, J=8.4 Hz, 2H), 6.40-6.46 (m, 1H), 6.60-6.70 (m, 3H), 6.83 (s, 1H), 6.91 (d, J=7.8 Hz, 1H), 7.02 (d, J=7.5 Hz, 1H); ESI-MS (m/z) 395.63 (M+H)+.
Source ID: ord-c4d62f6d07d3430da7f3a74904a6042aPubChem References
These sources are listed in the compound's public database record.
Request a Quote
Send the required specification, quantity, destination and intended use. The CATO team will review availability and respond.