CAS: 4861-85-2; Isopropyl Phenylacetate
该化合物是苯乙酸和异丙醇反应形成的酯类化合物,一种明显,无色的黄色液体,带有甜,花粉和微微果芳香,在香味和口味应用中有用;该化合物在有机溶剂中表现出高溶性,在标准条件下具有中等稳定性;其主要优势包括其在有机合成中作为多用途中间体的作用,以及在香水中作为创造花粉和类似蜜的注料的用途.此外,由于某些制药和农用化学产品具有优美的物理化学特性,该化合物还被用于生产某些制药和农用化学产品.
- 英文名称Isopropyl Phenylacetate
- 中文名称苯乙酸异丙酯
- IUPAC名称propan-2-yl 2-phenylacetate
- 其它别名Aceticacid, phenyl-, isopropyl ester (6CI,7CI,8CI); Isopropyl benzeneacetate; Isopropyl phenylacetate
- CAS编号4861-85-2
- MFCD编号:MFCD00051546
- EINECS号:225-468-5
- FDA UNII编号:A8L7NAJ0YO
- 分子式:C11H14O2分子量:178.23
- 产品CID: 1478450
- 产品分类香精与香料 → 合成香料 → 羧酸及酯类香料
- 相似结构搜索
- 产品信息参考
;;;; - InChIKey: SSMBXPJYHMZLOJ-UHFFFAOYSA-N
- 1S/C11H14O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
- 计算化学: 氢键受体数2.0氢键供体数*可旋转键数4.0
物理性质
MSDS等安全信息
- 危险类别ACUTE/CHRONIC HAZARDS: This chemical does not present a serious hazard in normal use. However, it should be borne in mind that the toxicological and physiological properties are not yet well defined. (NTP, 1992)
- 危险描述Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website. - UN编号NONH for all modes of transport
- 安全声明24/25
- 危险类别码R36/37/38:对眼睛,呼吸道和皮肤有刺激作用.
- WGK Germany3
上下游产品
phenylacetic acid isopropyl alcohol carbon monoxideIsopropyl-α-phenyl-α-isopropylacetat tert-Butoxycarbonylamino-phenyl-acetic acid isopropyl ester [2-(phenylsulfanyl)ethyl]benzene isopropyl (1-hydroxycyclohexyl)phenylacetate合成工艺路线路线简述
📜对甲苯磺酰肼置于三乙烯二胺,Cobalt(II) Tetramethyldibenzotetraaza[14]Annulene体系中,用 甲醇,甲苯 作为反应溶剂,20.0~60.0 °C,2.0 Mpa 条件下,反应 16.0H,反应生成 苯乙酸异丙酯
参考文献:[co(Metaa)] 金属自由基催化途径通过卡宾自由基羰基化制备烯酮
标题:[co(Metaa)] 金属自由基催化途径通过卡宾自由基羰基化制备烯酮
摘要:提出了一种针对 β-内酰胺,酰胺和酯的有效合成策略,包括"原位"反应生成烯酮并随后用亲核试剂捕获.使用廉价且高活性的钴 (II) 四甲基四氮杂 [14] 环烯催化剂 [co(Metaa)] 对卡宾自由基中间体进行羰基化,为取代烯酮提供了一种方便的单锅合成方案.n-甲苯磺酰腙用作卡宾前体,从而弥合醛和烯酮之间的差距.通过金属基钴 (II) 催化剂对这些卡宾前体的活化产生 Coiii-卡宾自由基,其随后与一氧化碳反应形成烯酮.在反应介质中存在亲核试剂(亚胺,醇或胺)时,乙烯酮会立即被捕获,从而在单锅合成方案中反应生成所需的产物.
DOI:10.1002/ejic.201800101
海关参考信息
- 2902600000-乙苯
2905122000-异丙醇
2909110000-乙醚
2912110000-甲醛 - 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
- 详情请参考：📖 海关编码查询和海关进出口税则
专利信息
专利号:US-5663480-A
优先权日:1993-12-20
标题:Synthesis of aromatic carbonates by transesterification using a catalyst comprising a microporous material and a group IV metal
发明人：TSUNEKI HIDEAKI; KIRISHIKI MASARU; WATANABE KENICHI; ONDA YOSHIYUKI
权利人:NIPPON CATALYTIC CHEM IND
摘要:A catalyst for producing an aryl ester of a carbonic or carboxylic acid is disclosed, which includes a microporous material containing a metal element belonging to group IV. This catalyst can be used as a heterogeneous catalyst to produce the aryl ester in high yield with industrial advantages. In order to produce the aryl ester using the catalyst, a carbonate or an aliphatic carboxylate is transesterified with an aromatic hydroxy compound, or an aryl carboxylate is transesterified with a carbonate, or an alkyl aryl carbonate is disproportionated by transesterification.
专利号:US-4426536-A
优先权日:1982-06-14
标 题:Synthesis of phenylacetic acid esters
发明人：ROBEY ROGER L
权利人:LILLY CO ELI
摘要:Esters of phenylacetic acids are prepared in a single step by hydrolysis of 2,2,2-trichloro-1-phenylethanes in inorganic basic media.
专利号:DE-102012224021-A1
优先权日:2012-05-09
标 题 :A process for the synthesis of phenylacetic acid by carbonylation of toluene
专利号:EP-0098058-A1
优先权日:1982-06-14
标 题 :Synthesis of phenylacetic acid esters
专利号:US-5565605-A
优先权日:1993-12-20
标题 :Synthesis of aryl carboxylates by transesterification using a heterogeneous microporous catalyst containing a group IV metal
专利号:EP-0098058-B1
优先权日:1982-06-14
标题:Synthesis of phenylacetic acid esters
供应商参考报价(招募中)
品牌试剂参考报价(招募中)
📌 第三方产品分析报告
合成参考文献
摘要:Wu, X.-F., Science of Synthesis Knowledge Updates, (2014) 1, 328.
摘要:Andrus, M. B., Science of Synthesis: Stereoselective Synthesis, (2011) 3, 479.
摘要:de Figueiredo, R. M., Science of Synthesis: Knowledge Updates, (2024) 2, 326.
摘要:Liao, L.; Zhang, Y.; Yu, J.-S., Science of Synthesis: Knowledge Updates, (2024) 1, 230.
📝 需求与反馈
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