Lawesson 시약
Lawesson시약 · Lawesson의 시약 · LAWESSON REAGENT · Lawesson · LR · 2,4-BIS(4-METHOXYPHENYL)-2,4-DITHIOXO-1,3,2,4-DITHIADIPHOSPHETANE · 2,4-BIS(4-METHOXYPHENYL)-1,3-DITHIA-2,4-DIPHOSPHETANE-2,4-DISULFIDE · Lawesson's
식별자 및 물리적 특성
| CAS No. | 19172-47-5 |
|---|---|
| 분자식 | C14H14O2P2S4 |
| 평균 분자량 | 404.5 g/mol |
| 단동위원소 질량 | 403.93518837 g/mol |
| SMILES | COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1 |
| InChIKey | CFHGBZLNZZVTAY-UHFFFAOYSA-N |
| PubChem CID | 87949 |
| EC No. | 242-855-4 |
| DTXSID | DTXSID4066460 |
| 현지명 | Lawesson 시약 |
화학 및 물리적 성질
| XLogP | 6.1 |
|---|---|
| 극성 표면적 | 133 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 22 |
| 형식 전하 | 0 |
| 복잡도 | 425 |
| Physical Description | Off-white, light yellow, or light brown powder with a stench[Sigma-Aldrich MSDS] |
| 녹는점 | 228-230 °C(lit.) |
| 끓는 점 | 525.8±60.0 °C(Predicted) |
| 밀도 | 1.48±0.1 g/cm3(Predicted) |
| 저장 조건 | Inert atmosphere,2-8°C |
| 용해도 | 클로로포름(약간 용해됨) |
| 물리적 상태 | 가루 |
| 색상 | 흰색에서 거의 흰색 |
| 용해도 | 분해 |
| Merck | 14,5391 |
| BRN | 1024888 |
| InChI | InChI=1S/C14H14O2P2S4/c1-15-11-3-7-13(8-4-11)17(19)21-18(20,22-17)14-9-5-12(16-2)6-10-14/h3-10H,1-2H3 |
| InChIKey | CFHGBZLNZZVTAY-UHFFFAOYSA-N |
| SMILES | S1P(=S)(C2=CC=C(OC)C=C2)SP1(=S)C1=CC=C(OC)C=C1 |
| EPA | 1,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfide (19172-47-5) |
화학적 성질
light yellow to beige powder
안전 및 규제
| GHS 분류 | DangerH261 (86.2%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases]H302 (24.1%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (15.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (24.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]P231+P232, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P378, P402+P404, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: 1,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfidePMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 09-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/220412,4-Bis(4-methoxyphenyl)-2,4-dithioxo-1,3,2,4- dithiadiphosphetane: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Reacts violently with water evolving flammable gasesMay cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Water-react. 2 (86.2%)Acute Tox. 4 (24.1%)Acute Tox. 4 (15.5%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | 3278 |
| 관세 코드 | 29349990 |
| 위험 문구(R) | 20/21/22-15/29-37 |
용도
용도
Lawesson's reagent is a thiation agent used to convert carbonyl compounds into thiocarbonyls. It is also used to thionate enones, esters, lactones, amides, lactams and quinones. Further, it is used to prepare thiols from alcohols. It is associated with silver perchlorate and utilized as and oxophilic Lewis acid catalyst for Diels-Alder reaction of dienes with alfa, beta-unsaturated aldehydes.
일반 설명
Lawesson′s reagent is generally used as a thiation agent in organic synthesis for the conversion of oxygen functionalities into their thio analogs. It facilitates the conversion of the carbonyl group to thiocarbonyl group as well as carbon-oxygen single bond into a carbon-sulfur single bond.