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(-)-3-furan-2-yl-2-methylpropionic acid | 6969-36-4

中文名称
——
中文别名
——
英文名称
(-)-3-furan-2-yl-2-methylpropionic acid
英文别名
3-(Furan-2-yl)-2-methylpropanoic acid
(-)-3-furan-2-yl-2-methylpropionic acid化学式
CAS
6969-36-4
化学式
C8H10O3
mdl
——
分子量
154.166
InChiKey
BAMODTDOWULALQ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    180 °C(Press: 2 Torr)
  • 密度:
    1.158±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    1.4
  • 重原子数:
    11
  • 可旋转键数:
    3
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.38
  • 拓扑面积:
    50.4
  • 氢给体数:
    1
  • 氢受体数:
    3

SDS

SDS:c3f8bd96ea67e2130d5014a0284a74aa
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上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    (-)-3-furan-2-yl-2-methylpropionic acid 为溶剂, 反应 432.0h, 以38%的产率得到3-(furan-2-yl)-2-methylpropan-1-ol
    参考文献:
    名称:
    Tsuda, Yoshiko; Kawai, Ken-Ichi; Nakajima, Shoichi, Chemical and pharmaceutical bulletin, 1985, vol. 33, # 11, p. 4657 - 4661
    摘要:
    DOI:
  • 作为产物:
    描述:
    3-(呋喃-2-基)甲基丙烯酸 在 palladium on activated charcoal 氢气 作用下, 以 甲醇 为溶剂, 以7.9%的产率得到(-)-3-furan-2-yl-2-methylpropionic acid
    参考文献:
    名称:
    Tsuda, Yoshiko; Kawai, Ken-Ichi; Nakajima, Shoichi, Chemical and pharmaceutical bulletin, 1985, vol. 33, # 11, p. 4657 - 4661
    摘要:
    DOI:
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文献信息

  • Iridium-Catalyzed Enantioselective Hydrogenation of α,β-Unsaturated Carboxylic Acids
    作者:Shen Li、Shou-Fei Zhu、Can-Ming Zhang、Song Song、Qi-Lin Zhou
    DOI:10.1021/ja802399v
    日期:2008.7.1
    A highly efficient iridium-catalyzed hydrogenation of alpha,beta-unsaturated carboxylic acids has been developed by using chiral spiro-phosphino-oxazoline ligands, affording alpha-substituted chiral carboxylic acids in exceptionally high enantioselectivities and reactivities.
    已经通过使用手性螺-膦基-恶唑配体开发了一种高效的催化氢化 α,β-不饱和羧酸,从而以极高的对映选择性和反应性提供 α-取代的手性羧酸
  • Method for the production of isoamyl alcohol
    申请人:Global Bioenergies
    公开号:US10941423B2
    公开(公告)日:2021-03-09
    Described is a method for the production isoamyl alcohol (3-methylbutan-1-ol) comprising the enzymatic conversion of 3-methylbutyryl-CoA (isovaleryl-CoA) into isoamyl alcohol comprising: (a) two enzymatic steps comprising (i) first the enzymatic conversion of 3-methylbutyryl-CoA into 3-methylbutyraldehyde (3-methylbutanal or isovaleraldehyde); and (ii) then enzymatically converting the thus obtained 3-methylbutyraldehyde into said isoamyl alcohol; or (b) a single enzymatic reaction in which 3-methylbutyryl-CoA is directly converted into isoamyl alcohol by making use of an alcohol-forming short chain acyl-CoA dehydrogenase/fatty acyl-CoA reductase or an alcohol-forming fatty acyl-CoA reductase (long-chain acyl-CoA:NADPH reductase) (EC 1.2.1.84). Further, described is the above method wherein the 3-methylbutyryl-CoA can be provided by the enzymatic conversion of 3-methylcrotonyl-CoA into said 3-methylbutyryl-CoA. It is also described that the thus obtained isoamyl alcohol can be further enzymatically converted into 3-methylbutyl acetate (isoamyl acetate) as described herein. Described are also recombinant organisms or microorganisms which are capable of performing the above enzymatic conversions. Furthermore, described are uses of enzymes and enzyme combinations which allow the above enzymatic conversions.
    所描述的是一种生产异戊醇(3-甲基丁-1-醇)的方法,包括将 3-甲基丁酰-CoA(异戊酰-CoA)酶法转化为异戊醇,该方法包括:(a) 两个酶解步骤,包括:(i) 首先将 3-甲基丁酰-CoA 酶解转化为 3-甲基丁醛3-甲基丁醛异戊醛);(ii) 然后将由此获得的 3-甲基丁醛酶解转化为所述异戊醇;或 (b) 单个酶促反应,利用成醇短链酰基-CoA 脱氢酶/脂肪酰基-CoA 还原酶或成醇脂肪酰基-CoA 还原酶(长链酰基-CoA:NADPH 还原酶)(EC 1.2.1.84).此外,还描述了上述方法,其中 3-甲基丁酰基-CoA 可以通过酶法将 3-甲基巴豆酰基-CoA 转化为所述 3-甲基丁酰基-CoA。还描述了由此获得的异戊醇可进一步酶促转化为本文所述的 3-甲基丁基乙酸酯(乙酸异戊酯)。还描述了能够进行上述酶转化的重组生物或微生物。此外,还描述了可进行上述酶转化的酶和酶组合的用途。
  • Intramolecular [4+3] Cycloadditions. Studies of Relative Asymmetric Induction
    作者:Michael Harmata、Chandra B. Gamlath、Charles L. Barnes、Darin E. Jones
    DOI:10.1021/jo00121a028
    日期:1995.8
    Treatment df both the E and Z isomers of alkoxyallylic sulfones 20a and 20b with TiCl4 results in the formation of 4 + 3 cycloadducts by intramolecular cycloaddition. The distribution of diastereomers is different from each isomer of educt. This suggests that cycloaddition occurs faster than any isomerization process of the intermediate allylic cations. Both the E and Z isomers of 20c lead to the same 4 + 3 cycloadduct with essentially complete diastereoselectivity. Inherently high simple diastereoselection and a strong conformational bias in the allylic cation intermediates for both isomers account for this selectivity. The importance of allylic cation stereochemistry in these reactions is underscored by the cyclization of 20d. The Z isomer give only 4 + 3 cycloadducts with excellent relative but poor simple diastereoselection, suggestive of a concerted reaction. The E isomer give a [3 + 2] cycloadduct, enol ether 60, as the major cycloadduct as well as 4 + 3 cycloadducts and chloride-trapping product 61. This result is indicative of a stepwise reaction. The data reflect the importance of allylic cation stereochemistry in the regiochemical and stereochemical outcomes of intramolecular 4 + 3 cycloaddition reactions.
  • METHOD FOR THE PRODUCTION OF ISOAMYL ALCOHOL
    申请人:Global Bioenergies
    公开号:EP3313998A1
    公开(公告)日:2018-05-02
  • METHOD FOR THE ENZYMATIC PRODUCTION OF ISOAMYL ALCOHOL
    申请人:Global Bioenergies
    公开号:EP3313998B1
    公开(公告)日:2019-09-11
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