CAS 19172-47-5 Lawesson's reagent (HCID 87949)

名称と識別子

優先名称: Lawesson's reagent
IUPAC: 2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane
現地名: ローソン試薬
英語名: Lawesson's Reagent
分子式: C14H14O2P2S4
分子量: 404.47

名称と別名

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

名称をさらに表示

ローソン試薬2,4-ビス(4-メトキシフェニル)-1,3-ジチア-2,4-ジホスファ(V)シクロブタン-2,4-ビスチオン2,4-ビス(p-メトキシフェニル)-1,3,2,4-ジチアジホスフェタン-2,4-ジチオン2,4-ビス(4-メトキシフェニル)-1,3-ジチア-2,4-ジホスファ(V)シクロブタン-2,4-ジチオン2,4-ビスチオラト-2,4-ビス(4-メトキシフェニル)-1,3-ジチア-2,4-ジホスファ(V)シクロブタン-2,4-ジイリウム2,4-ビス(4-メトキシフェニル)-1,3-ジチア-2,4-ジホスファシクロブタン-2,4-ジチオン2,4-ビス(4-メトキシフェニル)-1,3,2,4-ジチアジホスフェタン-2,4-ジチオンラウエッソン試薬ローレンシウムLawesson試薬2,4-ビス(4-メトキシフェニル)-1,3,2,4-ジチアジホスフェタン-2,4-ジスルフィド2,4-ビス(4-メトキシフェニル)-1,3,2,4-ジチアジホスフェタン2,4-ジスルフィド1,3-ビス(4-メトキシフェニル)-2,4-ジチア-1,3-ジホスファ(V)シクロブタン-1,3-ジチオン2,4-ビス(4-メトキシフェニル)-1,3-ジチア-2,4-ジホスファシクロブタン2,4-ジスルフィドルイス2,4-ビス(4-メトキシフェニル)-1,3-ジチア-2,4-ジホスフェタン2,4-ジスルフィド2，4-ビス-（4-メトキシフェニル）-1，3-ジチア-2，4-ジホスフェタン＝2，4-ジスルフィド2,4‐ビス(4‐メトキシフェニル)‐1,3,2,4‐ジチアジホスフェタン‐2,4‐ジスルフィド2,4-ビス(4-メトキシフェニル)-1,3-ジチア-2-4-ジホスフェタン 2,4-ジスルフィド1,3-ジ(4-メトキシフェニル)-1,3-ジホスファ(V)-2,4-ジチアシクロブタン-1,3-ジチオンLawessonLR2,4-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

データベース識別子

CAS: 19172-47-5
PubChem CID: 87949
DTXSID: DTXSID4066460
UNII: A4125MQ8RX
EC Number: 242-855-4
Nikkaji: J208.098B、J323.927F

物性

構造計算による物性

XLogP: 6.1
極性表面積: 133 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 4
重原子数: 22
形式電荷: 0
複雑度: 425

実験および物理化学的性質

Physical DescriptionOff-white, light yellow, or light brown powder with a stench; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 228 · 228-230 °C(lit.)
沸点: 525.8 · 525.8±60.0 °C(Predicted)
比重(密度): 1.48 · 1.48±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Inert atmosphere,2-8°C
溶解性: Chloroform (Slightly)
外見: 粉
色: 白～ほぼ白
水溶解度: 分解
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
CAS データベース: 19172 · 19172-47-5(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfide (19172-47-5)

化学的性質

化学的特性light yellow to beige powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 4 件

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%)

法規制情報

Regulatory Information · 4 件

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

安全データ

F: 13-21
wgk: 3
tsca: TSCA listed
ridadr: 3278
hs_code: 29349990
risk_code: 20/21/22-15/29-37
hazard_code: Xn-F,Xi,Xn,F
safety_code: 8-43-36/37-22-38-7/8
hazard_class: 4.3
packing_group: III
Hazard Classifications: Water-react 2
ストレージクラス: 4.3 - Hazardous materials which set free flammable gases upon contact with water

化学と産業

用途と製造

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

応用分野 · 4 件

用途ローソン試薬（ローソンしやく、英: Lawesson's reagent）またはラヴェッソン試薬（ラヴェッソンしやく）は、有機合成化学において硫化剤として用いられる試薬である。LR と略称される。

用途有機合成試薬(硫化剤)。

使用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.

一般的な説明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.