Lawesson 시약
Lawesson's reagent
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기본 정보
- CAS
19172-47-5- 표준 SMILES
COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1- InChIKey
CFHGBZLNZZVTAY-UHFFFAOYSA-N- 분자식
- C14H14O2P2S4
- 평균 분자량
- 404.5 g/mol
- 단동위원소 질량
- 403.93518837
이름 및 식별자
- 우선 이름
- Lawesson's reagent
- IUPAC
- 2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane
- 현지명
- Lawesson 시약
- 영어명
- Lawesson's Reagent
- 분자식
- C14H14O2P2S4
- 분자량
- 404.47
이름 및 동의어
Lawesson's reagent19172-47-51,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfideP-Anisyldithiophosphonic anhydrideA4125MQ8RXNSC-150550DTXSID4066460RefChem:798662DTXCID8036023242-855-4Lawesson reagent2,4-Bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide
이름 더 보기
Lawesson시약Lawesson의 시약LawessonLR2,4-BIS(4-METHOXYPHENYL)-1,3-DITHIA-2,4-DIPHOSPHETANE-2,4-DISULFIDELawesson'sLawesson`s reagentsulfide dimer4-Methoxyphenylthiophosphoric cyclic di(thioanhydride), 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
Lawessons reagentLawesson' reagentC14H14O2P2S42,4-Bis(4-methoxyphenyl)-2,4-dithioxo-1,3,2,4-dithiadiphosphetane2,4-Bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetane 2,4-disulfideMFCD000051712,4-Bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane-2,4-disulfideNSC150550
데이터베이스 식별자
- CAS
19172-47-5- PubChem CID
- 87949
- DTXSID
DTXSID4066460- UNII
- A4125MQ8RX
- EC Number
- 242-855-4
- Nikkaji
- J208.098B、J323.927F
물성
구조 계산 물성보충 중
- XLogP
- 6.1
- 극성 표면적
- 133 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 425
실험 및 물리화학적 성질
Physical DescriptionOff-white, light yellow, or light brown powder with a stench; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 228 · 228-230 °C(lit.)
- 끓는 점
- 525.8 · 525.8±60.0 °C(Predicted)
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 클로로포름(약간 용해됨)
- 물리적 상태
- 가루
- 색상
- 흰색에서 거의 흰색
- 수용성
- 분해
- Merck
- 14 · 14,5391
- BRN
- 1024888 · 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 · 1,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfide (19172-47-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H261 (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.
유해성 정보
Regulatory Information
Chemical: 1,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfide
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 09-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22041
2,4-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
Hazards SummaryReacts violently with water evolving flammable gases; May cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesWater-react. 2 (86.2%)；Acute Tox. 4 (24.1%)；Acute Tox. 4 (15.5%)；Acute Tox. 4 (24.1%)
규제 정보
화학 및 산업
용도 및 제조
UsesUsed as a thionating agent to convert carbonyls into thiocarbonyls; [Merck Index]
General Manufacturing Information1,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfide: ACTIVE
응용 분야
용도Lawesson'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 설명Lawesson′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.
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