Structure of 5601-60-5
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The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
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Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
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| CAS No. : | 5601-60-5 |
| Formula : | C11H22O2 |
| M.W : | 186.29 |
| SMILES Code : | CCC(C)CCCCCCC(O)=O |
| MDL No. : | MFCD02258676 |
| InChI Key : | WGKCPRZDCLXOIQ-UHFFFAOYSA-N |
| Pubchem ID : | 21813 |
| GHS Pictogram: |
|
| Signal Word: | Warning |
| Hazard Statements: | H302-H312-H332 |
| Precautionary Statements: | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501 |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

[ 5601-60-5 ]
[ 36653-82-4 ]
[ 123648-40-8 ]
[ 200925-72-0 ]

| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| With benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; for 18h; | Commercially available <strong>[5601-60-5]8-methyldecanoic acid</strong> (1.55 g), 2-(1H-Benzotriazol-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate (TBTU, 2.67 g), diisopropylethylamine (DIPEA, 2.9 mL), and 1-hydroxy-benzotriazole (1.12 g) as a solution in N-methylpyrrolidine (80 mL) was added to compound 1 (7.6 g). The mixture was shaken for 18 hours, filtered through a glass sinter funnel, and the reaction was judged to be complete using the Kaiser Test (vide supra), yielding the resin bound compound 76. |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| With benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; for 18h; | Commercially available <strong>[5601-60-5]8-methyldecanoic acid</strong> (0.71 g), 2-(1H-Benzotriazol-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate (TBTU, 1.21 g), diisopropylethylamine (DIPEA, 2.0 mL), and 1-hydroxy-benzotriazole (0.508 g) as a solution in N-methylpyrrolidine (80 mL) was added to compound 82 (4.0 g). The mixture was shaken for 18 hours, filtered through a glass sinter funnel), and the reaction was judged to be complete using the Kaiser Test (vide supra). The reaction mixture was filtered through a glass sinter funnel then the solid was washed with N-methylpyrrolidine (3×6 mL), methanol (3×6 mL), and again with N-methylpyrrolidine (3×6 mL) to give resin bound compound 78. |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| With benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; for 18h; | Commercially available <strong>[5601-60-5]8-methyldecanoic acid</strong> (0.71 g), 2-(1H-Benzotriazol-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate (TBTU, 0.60 g), diisopropylethylamine (DIPEA, 0.64 mL), and 1-hydroxy-benzotriazole (0.25 g) as a solution in N-methylpyrrolidine (20 mL) was added to compound 34 (1.8 g). The mixture was shaken for 18 hours, filtered through a glass sinter funnel, and the reaction was judged to be complete using the Kaiser Test (vide supra). The reaction mixture was filtered through a glass sinter funnel then the solid was washed with N-methylpyrrolidine (3×6 mL), methanol (3×6 mL), and again with N-methylpyrrolidine (3×6 mL) to give resin bound compound 83. |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| With benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; for 18h; | Commercially available <strong>[5601-60-5]8-methyldecanoic acid</strong> (0.34 g), 2-(1H-Benzotriazol-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate (TBTU, 0.60 g), diisopropylethylamine (DIPEA, 0.64 mL), and 1-hydroxy-benzotriazole (0.25 g) as a solution in N-methylpyrrolidine (20 mL) was added to compound 88 (2.0 g). The mixture was shaken for 18 hours, filtered through a glass sinter funnel, and the reaction was judged to be complete using the Kaiser Test (vide supra). The solid was washed with N-methylpyrrolidine (3×15 mL), methanol (3×16 mL), and again with N-methylpyrrolidine (3×16 mL) to give resin bound compound 84. |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| With benzotriazol-1-ol; diisopropyl-carbodiimide; In 1-methyl-pyrrolidin-2-one; for 18h; | Commercially available <strong>[5601-60-5]8-methyldecanoic acid</strong> (1.56 g), 2-(1H-Benzotriazol-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate (TBTU, 2.7 g), diisopropylethylamine (DIPEA, 2.9 mL), and 1-hydroxy-benzotriazole (1.25 g) as a solution in N-methylpyrrolidine (120 mL) was added to compound 118 (13.8 g). The mixture was shaken for 18 hours, filtered through a glass sinter funnel, and the reaction was judged to be complete using the Kaiser Test (vide supra). The reaction mixture was filtered through a glass sinter funnel then the solid was washed with N-methylpyrrolidine (3×120 mL), methanol (3×120 mL), and again with N-methylpyrrolidine (3×120 mL) to give compound 105. |
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| With benzotriazol-1-ol; diisopropyl-carbodiimide; In 1-methyl-pyrrolidin-2-one; for 18h; | Commercially available <strong>[5601-60-5]8-methyldecanoic acid</strong> (0.50 g), 2-(1H-Benzotriazol-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate (TBTU, 0.86 g), diisopropylethylamine (DIPEA, 0.94 mL), and 1-hydroxy-benzotriazole (0.35 g) as a solution in N-methylpyrrolidine (30 mL) was added to compound 123 (3.8 g). The mixture was shaken for 18 hours, filtered through a glass sinter funnel, and the reaction was judged to be complete using the Kaiser Test (vide supra). The reaction mixture was filtered through a glass sinter funnel then the solid was washed with N-methylpyrrolidine (3×36 mL), methanol (3×36 mL), and again with N-methylpyrrolidine (3×36 mL) to give compound 119. |
[ 5601-60-5 ]
[ 29022-11-5 ]
[ 35661-39-3 ]


[ 71989-14-5 ]
[ 71989-18-9 ]
[ 126133-58-2 ]
[ 71989-26-9 ]
[ 159407-40-6 ]
[ 104091-08-9 ]
[ 77128-70-2 ]
[ 143824-78-6 ]

[ 5601-60-5 ]
[ 29022-11-5 ]
[ 35661-39-3 ]


[ 71989-14-5 ]
[ 71989-18-9 ]
[ 126133-58-2 ]
[ 71989-26-9 ]
[ 159407-40-6 ]
[ 104091-08-9 ]
[ 77128-70-2 ]
[ 143824-78-6 ]

[ 5601-60-5 ]

