아미노시클로부탄
시클로부틸아민 · 아미노시클로부탄 · 사이클로뷰틸아민 · Cyclobutanamine · AMINOCYCLOBUTANE · obutyL · AURORA KA-7608 · Ring-butylaMine
식별자 및 물리적 특성
| CAS No. | 2516-34-9 |
|---|---|
| 분자식 | C4H9N |
| 평균 분자량 | 71.12 g/mol |
| 단동위원소 질량 | 71.07349929 g/mol |
| SMILES | NC1CCC1 |
| InChIKey | KZZKOVLJUKWSKX-UHFFFAOYSA-N |
| PubChem CID | 75645 |
| EC No. | 219-736-0 |
| DTXSID | DTXSID00870982 |
| 현지명 | 아미노시클로부탄 |
화학 및 물리적 성질
| XLogP | 0.2 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 5 |
| 형식 전하 | 0 |
| 복잡도 | 30.6 |
| SpringerMaterials Properties | Schoenflies notation |
| 녹는점 | 133-135.5 °C(Solv: ligroine (8032-32-4)dichloromethane (75-09-2)) |
| 끓는 점 | 81.5 °C752 mm Hg(lit.) |
| 밀도 | 0.833 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.437(lit.) |
| 인화점 | 24 °F |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | 10.80±0.20(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 무색투명~연황색 |
| 용해도 | 약간 용해됨 |
| BRN | 2069297 |
| InChI | 1S/C4H9N/c5-4-2-1-3-4/h4H,1-3,5H2 |
| InChIKey | KZZKOVLJUKWSKX-UHFFFAOYSA-N |
| SMILES | NC1CCC1 |
| NIST | Cyclobutylamine(2516-34-9) |
화학적 성질
Clear colorless to light yellow liquid
안전 및 규제
| GHS 분류 | DangerH225 (98%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (98%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 2733 3/PG 2 |
| 관세 코드 | 29213000 |
| 위험 문구(R) | 11-34-20/21/22-36/37/38 |
| 위험 표시 | F,C,Xi |
| 안전 문구(S) | 16-26-36/37/39-45-33-7/9 |
| 포장분류 | II |
| 위험 등급 | 3Flam. Liq. 2Skin Corr. 1B |
| 기존화학 물질 | KE-09130 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
Cyclobutylamine is a substrate employed in a microwave-assisted synthesis of 7-azaindoles from dihalopyridines. Also it is a reactant in the preparation of imidazo[1,2-b]pyridazine derivatives as selective and orally available Mps1 (TTK) kinase inhibitors.
제조 및 합성 방법
제조 방법
The preparation of cyclobutylamine from cyclobutanecarboxylic acid and hydrazoic acid has been reported previously. Cyclobutylamine has also been prepared by the Hofmann-type rearrangement of cyclobutanecarboxamide. More recently it has been prepared in 82–87% overall yield from cyclobutanecarboxamide by oxidative rearrangement with lead tetraacetate or iodosobenzene diacetate.Synthesis of cyclobutylamine