2-methylperoxypropionic acid | 13122-72-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-methylperoxypropionic acid
• 英文别名: Peroxyisobuttersaeure；Perisobuttersaeure；perisobutyric acid；2-Methylpropaneperoxoic acid
• CAS: 13122-72-0
• 化学式: C₄H₈O₃
• 分子量: 104.106
• InChiKey: LVQKOPBJHBWELS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methylperoxypropionic acid 在 acid 硝酸 作用下， 生成 2-methylpropionyl peroxynitrate
  参考文献：
  名称：

  硝酸过氧异丁酰硝酸。

  摘要：

  Peroxyisobutyryl nitrate, (CH3)2CHC(O)OONO2(PiBN), has been synthesized in the liquid phase, measured by electron capture gas chromatography (EC-GC), characterized in a number of decomposition tests, and prepared in-situ in the gas phase by sunlight irradiation of isobutyl nitrite, of isobutanal with NO, and of 3-methyl-1-butene with NO in air. The corresponding reaction mechanisms are outlined. In the liquid phase, PiBN decomposes to isopropylnitrate. In the gas phase, thermal decomposition in the presence of NO yields acetone (91+/-7%). Isobutanal reacts with OH predominantly (greater-than-or-equal-to 98%) by H abstraction from the carbonyl carbon, and 3-methyl-1-butene reacts with OH predominantly (greater-than-or-equal-to 98%) by addition on the C=C bond. Reaction with oxygen predominates (greater-than-or-equal-to 96%) over unimolecular decomposition for the alkoxy radicals (CH3)2CH(O) and (CH3)2CHCH2(O). Emission inventory data for hydrocarbons that are precursors to PiBN indicate that the PiBN-forming potential relative to that of PAN is less-than-or-equal-to 0.10. This ratio also represents an upper limit for the positive bias due to PiBN when measuring ambient PAN by EC-GC with packed columns, on which PiBN and PAN co-elute.

  DOI：

  10.1021/es00050a023
• 作为产物：
  描述：

  异丁酸酐 在 双氧水 作用下， 生成 2-methylperoxypropionic acid
  参考文献：
  名称：

  硝酸过氧异丁酰硝酸。

  摘要：

  Peroxyisobutyryl nitrate, (CH3)2CHC(O)OONO2(PiBN), has been synthesized in the liquid phase, measured by electron capture gas chromatography (EC-GC), characterized in a number of decomposition tests, and prepared in-situ in the gas phase by sunlight irradiation of isobutyl nitrite, of isobutanal with NO, and of 3-methyl-1-butene with NO in air. The corresponding reaction mechanisms are outlined. In the liquid phase, PiBN decomposes to isopropylnitrate. In the gas phase, thermal decomposition in the presence of NO yields acetone (91+/-7%). Isobutanal reacts with OH predominantly (greater-than-or-equal-to 98%) by H abstraction from the carbonyl carbon, and 3-methyl-1-butene reacts with OH predominantly (greater-than-or-equal-to 98%) by addition on the C=C bond. Reaction with oxygen predominates (greater-than-or-equal-to 96%) over unimolecular decomposition for the alkoxy radicals (CH3)2CH(O) and (CH3)2CHCH2(O). Emission inventory data for hydrocarbons that are precursors to PiBN indicate that the PiBN-forming potential relative to that of PAN is less-than-or-equal-to 0.10. This ratio also represents an upper limit for the positive bias due to PiBN when measuring ambient PAN by EC-GC with packed columns, on which PiBN and PAN co-elute.

  DOI：

  10.1021/es00050a023

文献信息

• Perhydrolase
  申请人：Amin Neelam S.

  公开号：US20080145353A1

  公开（公告）日：2008-06-19

  The present invention provides methods and compositions comprising at least one perhydrolase enzyme for cleaning and other applications. In some particularly preferred embodiments, the present invention provides methods and compositions for generation of peracids. The present invention finds particular use in applications involving cleaning, bleaching and disinfecting.

  本发明提供了一种包括至少一种过氧化酶酶的方法和组合物，用于清洁和其他应用。在一些特别优选实施例中，本发明提供了用于生成过氧酸的方法和组合物。本发明在涉及清洁、漂白和消毒的应用中具有特殊用途。
• Method for manufacture of dihydric phenols
  申请人：Oxirane Chemical Co.

  公开号：US03950437A1

  公开（公告）日：1976-04-13

  Dihydric phenols are produced preferentially in high yields by having monohydric phenols or phenyl ethers oxidized by an organic peracid using, as a catalyst, at least one member selected from the group consisting of peracid stabilizers, polycarboxylic acids containing N or OH and possessed of a structure from which heavy metal ion-chelating property can theoretically be assumed, magnesium salts, sodium salts and potassium salts thereof, sodium salt, potassium salt and lower alkyl esters of phosphoric acid, and sodium salt and lower alkyl esters of pyrophosphoric acid.

  双酚类化合物可以通过将单酚类化合物或苯基醚在有机过氧酸的氧化作用下，以至少选择自过氧酸稳定剂、含有N或OH的多羧酸，并具有理论上能够提供重金属离子螯合性质的结构、镁盐、钠盐和钾盐、磷酸的钠盐、钾盐和较低烷基酯，以及焦磷酸的钠盐和较低烷基酯作为催化剂，优先高产地生产。
• Naturally occurring quinones. Part XI. The tanshinones
  作者：A. C. Baillie、R. H. Thomson

  DOI：10.1039/j39680000048

  日期：——

  dichlorodicyanobenzoquinone yielded tanshinone l (4,5-dihydro-3,9-dimethylphenanthra[1,2-b]furan-4,5-dione). By the same route 5,6,7,8-tetrahydro-8,8-dimethyl-3-phenanthrol was converted into racemic cryptotanshinone (2,3,4,5,6,7,8,9-octahydro-3,9,9-trimethylphenanthra[1,2-b]furan-4,5-dione) which gave tanshinone IIA on dehydrogenation. It is deduced from spectroscopic data that tanshinone IIB is 4,5,6,7,8,9-he

  通过合成建立了来自丹参丹参的色素丹参酮I，丹参酮IIA和隐丹参酮的结构。关键步骤是通过与β-氯丙酰过氧化物反应，将2-羟基-1,4-醌转化为二氢呋喃-邻-醌。将8-甲基-3-菲咯啉转化为3-羟基-8-甲基-1,4-菲蒽醌，得到2,3,4,5-四氢-3,9-二甲基菲[1,2- b ]-呋喃-通过与β-氯-α-甲基丙酰过氧化物反应来形成4,5-二酮。随后用二氯二氰基苯并苯醌脱氢得到丹参酮l（4,5-二氢-3,9-二甲基菲[1,2- b]呋喃-4,5-二酮）。通过相同的途径，将5,6,7,8-四氢-8,8-二甲基-3-菲酚转化为外消旋隐丹参酮（2,3,4,5,6,7,8,9-八氢-3,9 ，9-三甲基菲蒽[1,2- b ]呋喃-4,5-二酮）经脱氢得到丹参酮IIA。由光谱数据推断丹参酮IIB为4,5,6,7,8,9-六氢-9-羟甲基-3,9-二甲基菲蒽[1,2 - b ]呋喃-4,5-二酮。
• Sandler; Khcheyan; Kharenko, Journal of applied chemistry of the USSR, 1984, vol. 57, # 6 pt 2, p. 1244 - 1247
  作者：Sandler、Khcheyan、Kharenko、Ryabukhin、Bobylev

  DOI：——

  日期：——
• Bondarenko, A. V.; Vasil'eva, I. A.; Gvozdovskii, G. N., Journal of Organic Chemistry USSR (English Translation), 1987, vol. 23, # 10, p. 1859 - 1863
  作者：Bondarenko, A. V.、Vasil'eva, I. A.、Gvozdovskii, G. N.、Srednev, S. S.、Gal'perina, A. I.、Kozlov, S. K.

  DOI：——

  日期：——