Product Details of [ 73781-74-5 ]
| CAS No. : | 73781-74-5 | MDL No. : | MFCD19204091 |
| Formula : | C5H4N2S | Boiling Point : | 352.6±22.0°C at 760 mmHg |
| Linear Structure Formula : | – | InChI Key : | – |
| M.W : | 124.16 | Pubchem ID : | 13134990 |
| Synonyms : | |||
Computed Properties of [ 73781-74-5 ]
| TPSA :Topological Polar Surface Area | 78 | H-Bond Acceptor Count : | 3 |
| XLogP3 : | 1 | H-Bond Donor Count : | 1 |
| SP3 : | 0.00 | Rotatable Bond Count : | 0 |
Safety of [ 73781-74-5 ]
| Signal Word: | Warning | Class | N/A |
| Precautionary Statements: | P305 P351 P338 | UN#: | N/A |
| Hazard Statements: | H302-H319 | Packing Group: | N/A |
| GHS Pictogram: | |||
Application In Synthesis of [ 73781-74-5 ]
- Upstream synthesis route of [ 73781-74-5 ]
[ 73781-74-5 ] Synthesis Path-Upstream 1~2
- 1
- [ 42137-24-6 ]
- [ 73781-74-5 ]
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 41% | Stage #1: With hydrogen In 1,4-dioxane; ethyl acetate for 16.00 h; Stage #2: for 24.00 h; |
Step 3 4-aminothiophene-2-carbonitrile (3); [0172] Nitrile 2 (100 mg, 0 65 mmol ) in EtOAc (4 mL) and dioxane (0 2 mL) and 5percent Pd/C (77 mg) were placed under hydrogen atmosphere After 16 hours 10percent Pd/C Degussa wet catalyst (30 mg) was added and the mixture was stirred under 1 atm of hydrogen for another 24h The catalyst was filtered over celite and the filtrate was concentrated under vacuum and purified by column chromatography eluting with 20-30percent EtOAc/hexanes giving amine 3 in 41 percent LRMS (ESI) calc 124 2, found 125 1 (MH)+ |