| Identification | More | [Name]
TERT-BUTYLCARBAMIDINE HYDROCHLORIDE | [CAS]
18202-73-8 | [Synonyms]
2,2-DIMETHYLPROPANIMIDAMIDE HYDROCHLORIDE
2,2-DIMETHYLPROPIONAMIDINE HCL
2,2-DIMETHYL-PROPIONAMIDINEHYDROCHLORIDE
T-BUTYLCARBAMIDINE HYDROCHLORIDE
TERT-BUTYLCARBAMIDINE HYDROCHLORIDE
pivalamidine hydrochloride
tert-ButylcarbamidineHCl
trimethylacetamidine hydrochloride
2,2,2-Trimethylacetamidine hydrochloride, 98% | [EINECS(EC#)]
242-091-1 | [Molecular Formula]
C5H13ClN2 | [MDL Number]
MFCD00051988 | [Molecular Weight]
136.62 | [MOL File]
18202-73-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
190 °C | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
powder to crystal | [color ]
White to Almost white | [Sensitive ]
Hygroscopic | [BRN ]
3618865 | [InChIKey]
ARDGQYVTLGUJII-UHFFFAOYSA-N | [CAS DataBase Reference]
18202-73-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2921199990 |
| Hazard Information | Back Directory | [Uses]
Pivalimidamide Hydrochloride is used as a reagent in the preparation of 2-alkyl-4-aryltetrahydropyridopyrimidines and 2-alkyl-4-aryl-tetrahydropyrimidoazepines as selective 5-HT2A antagonists. | [Synthesis]
Step (1) Preparation of tert-butylamidine hydrochloride: To a magnetically stirred mixed solution of 2,2-dimethyl-1-propanenitrile (25.0 g, 0.30 mol) and anhydrous methanol (26.8 mL, 0.79 mol) was added dropwise acetyl chloride (25 mL, 0.36 mol) and ether (30 mL) at 0 °C. After the dropwise addition, stirring was continued at 0 °C for 15 min. Subsequently, the reaction mixture was stirred at room temperature for 3 days. After completion of the reaction, white crystals were obtained by filtration, washed with ether and dried under vacuum. The dried crystals were mixed with an ethanol solution of 10% ammonia (150 mL, 0.90 mol) and stirred at room temperature for 3 days. The reaction mixture was filtered and the filtrate was concentrated to give a white solid. Recrystallization by ethanol gave a white crystalline product (18.9 g, 46% yield) with a melting point of 205°C (literature value 188°-190°C). NMR hydrogen spectrum (DMSO-d6): δ 1.22 (s, 9H), 8.63 (br d, 3H). | [References]
[1] Patent: US4786640, 1988, A |
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