Serinol
2-AMINOPROPANE-1,3-DIOL · SERINOL · Ser-OL · DL-SERINOL · Serinol 98% · Seryl Alcohol · Serine alcohol · S8002Dl-Serinol
식별자 및 물리적 특성
| CAS No. | 534-03-2 |
|---|---|
| 분자식 | C3H9NO2 |
| 평균 분자량 | 91.11 g/mol |
| 단동위원소 질량 | 91.06332853 g/mol |
| SMILES | NC(CO)CO |
| InChIKey | KJJPLEZQSCZCKE-UHFFFAOYSA-N |
| PubChem CID | 68294 |
| ChEMBL | CHEMBL116834 |
| EC No. | 208-584-0 |
| DTXSID | DTXSID2060202 |
화학 및 물리적 성질
| XLogP | -2 |
|---|---|
| 극성 표면적 | 66.5 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 28 |
| 녹는점 | 52-55 °C (lit.) |
| 끓는 점 | 277 °C (lit.) |
| 밀도 | 1.1278 (rough estimate) |
| 증기압 | 0.01Pa at 25℃ |
| 굴절률 | 1.4698 (estimate) |
| 인화점 | >230 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | DMSO(용해성, 초음파 처리), 메탄올(약간 용해됨, 초음파 처리), 물(약간 용해됨) |
| pKa(산도 계수) | 12.24±0.10(Predicted) |
| 물리적 상태 | 결정성 분말 |
| 색상 | 흰색에서 황백색까지 |
| 용해도 | 물과 알코올에 용해됩니다. |
| BRN | 635683 |
| 안정성 | 흡습성 |
| InChIKey | KJJPLEZQSCZCKE-UHFFFAOYSA-N |
| LogP(분배 계수) | -1.82 at 20℃ |
| NIST | 2-Amino-1,3-propanediol(534-03-2) |
| EPA | 1,3-Propanediol, 2-amino- (534-03-2) |
화학적 성질
white to off-white adhering crystalline powder
안전 및 규제
| GHS 분류 | DangerH314 (48.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 122 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 22-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10161 |
| Hazard Classes and Categories | Skin Corr. 1C (48.4%) |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3263 8/PG 2 |
| 관세 코드 | 29221990 |
| 위험 문구(R) | 34 |
| 위험 표시 | C,Xi |
| 안전 문구(S) | 26-27-28-36/37/39-45 |
| 포장분류 | III |
| 위험 등급 | 8 |
| 기존화학 물질 | KE-01564 |
| F 고인화성물질 | 3-10-34 |
| 위험 참고 사항 | Corrosive |
용도
개요
2-Amino-1,3-propanediol (2-APD, also known as serinol) is a high-value-added chemical that is used as a building block for the synthesis of a variety of compounds, including drugs to treat type 2 diabetes mellitus, the antibiotic chloramphenicol, immune multiple sclerosis, and a new generation of nonionic X-ray contrast agents.
용도
2-Amino-1,3-propanediol is used as an intermediate in several chemical applications and also useful for serinol and some of its derivatives.
일반 설명
Serinol activates toxin production in the attenuated cultures of Helminthosporium sacchari. Preparation of polyesters derived from serinol is reported.
제조 및 합성 방법
제조 방법
Add 20% 2-nitro-1,3-propanediol methanol solution (1250 g) to 5% palladium/carbon 3.5 g. Hydrogen (70 L, pressure 3MPa) was continuously introduced and reacted at 75°C for 5 hours to obtain serine alcohol solution. The serine alcohol solution is pumped into a high vacuum distillation vessel, vacuumed to 40 pa, and methanol is distilled for reuse. Yield = 97.2%.