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ビス(p-アリルオキシフェニル)スルホン

Bis(4-allyloxyphenyl)sulfone

HCID 257484
ノート反応
基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
41481-63-4
標準SMILES
C=CCOc1ccc(S(=O)(=O)c2ccc(OCC=C)cc2)cc1
InChIKey
JUNVYDTYJZSTKY-UHFFFAOYSA-N
分子式
C18H18O4S
平均分子量
330.4 g/mol
単同位体質量
330.09258022

名称と識別子

優先名称
Bis(4-allyloxyphenyl)sulfone
IUPAC
1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene
現地名
ビス(p-アリルオキシフェニル)スルホン
英語名
1,1'-Sulfonylbis[4-(prop-2-en-1-yloxy)benzene
分子式
C18H18O4S
分子量
330.4

名称と別名

41481-63-4BIS(4-ALLYLOXYPHENYL)SULFONE4,4'-Sulfonylbis((allyloxy)benzene)1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene1-Prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonyl-benzene4,4'-diallyloxy-diphenyl sulfoneBenzene, 1,1'-sulfonylbis[4-(2-propenyloxy)-1,1'-SULFONYLBIS[4-(2-PROPENYL)OXY-BENZENE]Bis(p-allyloxyphenyl) sulfonebis(4-allyloxyphenyl) sulfoneNSC85530Sulfonylbis(4,1-phenylene)bis(allyl ether)
名称をさらに表示
スルホニルビス(4,1-フェニレン)ビス(アリルエーテル)ビス(p-アリルオキシフェニル)スルホンビス[4-(アリルオキシ)フェニル]スルホンビス(4-アリルオキシフェニル)スルホンビスフェノルA ジアリルエテルビス(4アリロキシフェニル)スルホンビス(4-アリルオキシフェニル)=スルホン1-(プロパ-2-エン-1-イルオキシ)-4-[4-(プロパ-2-エン-1-イルオキシ)ベンゼンスルホニル]ベンゼンDiallyl Ether Bisphenol-S4,4'-Sulfonyldiphenolbis(allylether)Bis-[4-(2propenyloxy)-phenyl]-sulfone1-(benzenesulfonyl)-4-prop-2-enoxybenzene
CBMicro_009221Cambridge id 51426071,1'-Sulfonylbis[4-(prop-2-en-1-yloxy)benzeneSCHEMBL5365071,1'-PHENYLSULFONYL-4,4'-DIENEPROPYL ETHERDTXSID70961750SMSF0003727MFCD00506306

データベース識別子

CAS
41481-63-4
PubChem CID
257484
DTXSID
DTXSID70961750
Nikkaji
J93.641C

物性

構造計算による物性

XLogP
3.9
極性表面積
61 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
8
重原子数
23
形式電荷
0
複雑度
426

物理化学的性質

融点
141 · 141-142 °C(Solv: ethanol (64-17-5))
沸点
500.7 · 500.7±45.0 °C(Predicted)
比重(密度)
1.171 · 1.171±0.06 g/cm3(Predicted)
貯蔵温度
-20 °C · -20°C Freezer, Under inert atmosphere
溶解性
DMSO(微量)、メタノール(微量)
外見
個体
色
ホワイトからオフホワイト
InChI
InChI=1S/C18H18O4S/c1-3-13-21-15-5-9-17(10-6-15)23(19,20)18-11-7-16(8-12-18)22-14-4-2/h3-12H,1-2,13-14H2
InChIKey
JUNVYDTYJZSTKY-UHFFFAOYSA-N
SMILES
S(C1=CC=C(OCC=C)C=C1)(C1=CC=C(OCC=C)C=C1)(=O)=O
CAS データベース
41481 · 41481-63-4(CAS DataBase Reference)

化学的性質

化学的特性White crystalline powder

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

安全データ

化審法
新規公示化学物質(2011年3月31日以前届出)

化学と産業

調製方法 · 1 件

製造方法The preparation of 1,1'-Sulfonylbis[4-(prop-2-en-1-yloxy)benzene is as follows:2400g water, 216g caustic soda lye of 48% strength, 600g 4,4'-dihydroxydiphenyl sulfone and 204g Allyl chloride were mixed and the reaction was carried out at 55-60°C and autogenously generated pressure of 0.8-1. Okg/cm2 for 8 hours. 204g caustic soda lye of 48% strength was added in the reaction mixture, and maintained for 1 hour at 80°C thereafter filtered at 80°C to remove 4,4'-diallyloxydiphenyl sulfone. Further, the filtrate solution was treated with 5g activated carbon and 5g sequestering agent at 85- 90°C. The pH of filtrated solution was adjusted to 8.9 with 20% sulfuric acid and cooled to 35°C. The precipitate was separated by filtration and slurred in water. The pH was adjusted to 4.94 with 20% sulfuric acid and the precipitate was separated by filtration, and washed with water and dried to obtain 615g the product 4-allyloxy 4'-hydroxydiphenyl sulfone of 96% purity. The yield was 93.5% with respect to 4,4'-dihydroxydiphenyl sulfone. The wet cake of 4,4'-diallyloxydiphenyl sulfone was slurred in 100g of 5%w/v aqueous solution of sodium hydroxide and refluxed for 1 hour, then cooled to 80°C. The precipitate was filtered, washed with water and dried to obtain 45g of 4,4'-diallyloxy diphenyl sulfone of 91.9% purity. The yield was 6% with respect to 4,4'-dihydroxydiphenyl sulfone. pH of the mother liquor obtained after separation of 4-allyloxy 4'-hydroxydiphenyl sulfone, was adjusted to 4.5 with 20% sulfuric acid. The precipitate was separated by filtration, washed with water and dried to obtain 33g of 4,4'-dihydroxydiphenyl sulfone of 87.9% purity. The conversion of 4,4'-dihydroxydiphenyl sulfone was 94.50%.; 595g of 4-allyloxy 4'-hydroxydiphenyl sulfone of 96% purity was dissolved in 230g of 48% strength caustic soda lye and 1000g water, treated with 5g activated carbon and 5g sequestering agent at 85-90°C. The slurry was filtered and pH of the filtrate was adjusted to 8.95 with 20% sulfuric acid and then cooled to 35°C. The precipitate was separated by filtration, slurried in water and the pH was adjusted to 5.0 with 20% sulfuric acid. The slurry was filtrated and the precipitate was washed with water and dried to obtain 563g of 4- allyloxy 4'-hydroxydiphenyl sulfone of 99.273% purity.

上流・下流製品情報

上流原料

塩化アリルpropeneビス(4-ヒドロキシフェニル)スルホンアリルブロミド

下流製品

4,4'-スルホニルビス[2-(2-プロペニル)フェノール]

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関連反応

1 件
反応記録を作成
HRID 1982654 の反応式
HRID 1982654生成物としてuspto-grants-1986_06

化合物ノート

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