5-(苯基甲基)-3-呋喃甲醇 | 20416-09-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5-(苯基甲基)-3-呋喃甲醇
• 中文别名: 苄呋菊酯醇代谢物,10ΜG/ΜL于环己烷；苄呋菊酯醇代谢物, 1ΜG /ΜL于环己烷
• 英文名称: (5-benzylfuran-3-yl)methanol
• 英文别名: 2-benzyl-4-hydroxymethylfuran；5-Benzyl-3-furylmethanol
• CAS: 20416-09-5
• 化学式: C₁₂H₁₂O₂
• mdl: MFCD01726001
• 分子量: 188.226
• InChiKey: AFEOKIGLYCQHAZ-UHFFFAOYSA-N

物化性质

• 熔点：
  36-39 °C
• 沸点：
  151-156 °C(Press: 1.5 Torr)
• 密度：
  1.137±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  33.4
• 氢给体数：
  1
• 氢受体数：
  2

ADMET

代谢

BFA是Bioresmethrin的一个已知的人类代谢物。

BFA is a known human metabolite of Bioresmethrin.

来源:NORMAN Suspect List Exchange

安全信息

• 海关编码：
  2932190090

反应信息

• 作为反应物：
  描述：

  5-(苯基甲基)-3-呋喃甲醇 生成 (5-benzylfuran-3-yl)methyl 2-(6-methoxynaphthalen-2-yl)-3-methylbutanoate
  参考文献：
  名称：

  FUDZITA, JOSIO;KUNISIGEH, TSUTOMU

  摘要：

  DOI：
• 作为产物：
  描述：

  4-羟甲基-2-呋喃甲醛 在 硫酸 、 氢气 、 silver(l) oxide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 35.0~140.0 ℃ 、6.08 MPa 条件下， 反应 53.0h， 生成 5-(苯基甲基)-3-呋喃甲醇
  参考文献：
  名称：

  一种2-苄基呋喃-4-甲醇的合成方法

  摘要：

  本发明公开了一种2-苄基呋喃-4-甲醇的合成方法，所述方法包括步骤：（1）使羟基保护试剂与4-羟甲基呋喃-2-甲醛反应，得到结构如式a所示的化合物；（2）将苯基碳负离子试剂与结构如式a所示的化合物混合，反应得到结构如式b所示的化合物；（3）将结构如式b所示的化合物去除羟基保护基团后氢解得到2-苄基呋喃-4-甲醇。

  公开号：

  CN103880791B

文献信息

• Method for producing cyclopropanecarboxylates
  申请人：——

  公开号：US20020052525A1

  公开（公告）日：2002-05-02

  There is provided a method for producing a cyclopropanecarboxylate of formula (1): 1 which comprises contacting a cyclopropanecarboxylate of formula (2): 2 with a monohydroxy compound of formula (3): R 7 OH  (3) in the presence of a lithium compound of formula (4): R 8 OLi  (4), wherein R 1 , R 2 , R 3 , R 4 and R 5 each independently represent a hydrogen atom, a halogen atom, a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkenyl group, or a substituted or unsubstituted aryl group; R 6 represents an alkyl group having 1 to 10 carbon atoms or a substituted or unsubstituted phenyl group; R 7 and R 8 do not simultaneously represent the same and each independently represent a substituted or unsubstituted alkyl group, or a substituted or unsubstituted aryl group.

  提供了一种生产公式（1）环丙烷甲酸酯的方法： 1 该方法包括接触 一种公式（2）的环丙烷甲酸酯： 2 与一种公式（3）的单羟基化合物： R 7 OH  (3) 在公式（4）的锂化合物存在下： R 8 OLi  (4)， 其中R 1 ，R 2 ，R 3 ，R 4 和R 5 每个独立代表 一个氢原子，一个卤素原子， 一个取代或不取代的烷基团， 一个取代或不取代的烯丙基团，或 一个取代或不取代的芳基团； R 6 代表一个有1到10个碳原子的烷基团或 一个取代或不取代的苯基团； R 7 和R 8 不同时代表相同的，且每个独立代表 一个取代或不取代的烷基团，或 一个取代或不取代的芳基团。
• Process for producing cyclopropanecarboxylates
  申请人：——

  公开号：US20020151741A1

  公开（公告）日：2002-10-17

  There is disclosed a process process for producing a cyclopropanecarboxylate of formula (1): 1 which process comprises reacting cyclopropanecarboxylic acid of formula (2): 2 with a monohydroxy compound of formula (3): R 6 OH  (3), in the presence of a catalyst compound comprising an element of to Group 4 of the Periodic Table of Elements.

  披露了一种制备公式(1)所示的环丙烷甲酸酯的方法：1该方法包括将公式(2)所示的环丙烷甲酸与公式(3)所示的单一羟基化合物反应：R6OH  (3)，在含有元素周期表第4族元素的催化剂化合物存在下。
• Insecticides
  申请人：National Research Development Corporation

  公开号：US04024163A1

  公开（公告）日：1977-05-17

  New insecticides are of formula: ##STR1## wherein R.sup.1 represents hydrogen or a methyl group; R.sup.2 represents hydrogen or a halogeno or lower alkyl group; R.sup.3 represents hydrogen or a halogeno, lower alkyl (which is different to R.sup.2 when R.sup.2 represents a lower alkyl group) or carbo(loweralkoxy) group which contains at least 2 carbon atoms in the lower alkoxy residue when R.sup.2 represents methyl or R.sup.2 and R.sup.3 together with the carbon atom to which they are attached represent a cycloalkylene ring having at least one endocyclic carbon to carbon double bond; with the proviso that (a) R.sup.2 and R.sup.3 each represent hydrogen only when R.sup.1 represents methyl and (b) R.sup.3 contains at least 2 carbon atoms when R.sup.1 and R.sup.2 each represent hydrogen; and R represents a group which form insecticidal esters with chrysanthemic acid e.g. 5-benzyl-3-furylmethyl, 3-phenoxybenzyl, .alpha.-cyano-3-phenoxybenzyl. The esters are prepared by forming the ester linkage conventionally or by a Wittig reaction using a 3-formyl- or 3-acetyl-2,2-dimethyl cyclopropane carboxylic acid esterified with the desired residue or by an alkyl group which is subsequently converted to the desired residue.

  新杀虫剂的化学式为：##STR1## 其中 R.sup.1 代表氢或甲基基团；R.sup.2 代表氢或卤素或较低烷基基团；R.sup.3 代表氢或卤素、较低烷基（当 R.sup.2 代表较低烷基基团时与 R.sup.2 不同）或含有至少 2 个碳原子的羟基（当 R.sup.2 代表甲基或 R.sup.2 和 R.sup.3 与它们连接的碳原子一起代表至少有一个内环碳与碳双键的环烷基环时）；但条件是 (a) 当 R.sup.1 代表甲基时，R.sup.2 和 R.sup.3 各自仅代表氢，以及 (b) 当 R.sup.1 和 R.sup.2 各自代表氢时，R.sup.3 含有至少 2 个碳原子；R 代表一种与菊酯酸形成杀虫酯的基团，例如 5-苄基-3-呋喃甲基、3-苯氧基苄基、α-氰基-3-苯氧基苄基。这些酯类化合物可通过传统形成酯键或使用 3-甲醛基或 3-乙酰基-2,2-二甲基环丙烷羧酸酯化所需残基的维特格反应，或通过随后转化为所需残基的烷基基团来制备。
• Cyclopropanecarboxylic acids and esters
  申请人：Roussel-UCLAF

  公开号：US03997586A1

  公开（公告）日：1976-12-14

  Novel cyclopropanecarboxylic acids and esters of the formula ##STR1## wherein Z.sub.1 and Z.sub.2 are selected from the group consisting of hydrogen, alkyl, aralkyl, aryl, alkenyl non-conjugated with the cyclopropane ring, alkenyl non-conjugated with the cyclopropane ring, cycloalkyl, cycloalkenyl and heterocyclic; R is selected from the group consisting of OH and OR' in which R' is selected from the group consisting of lower alkyl which may be substituted, benzyl which may be substituted on the phenyl or methylene portion, N-methylene-dicarboximide, (5-benzyl-furyl-3) methyl, and a cyclopentene of the formula ##STR2## WHEREIN R" is selected from the group consisting of alkyl, alkynyl, alkenyl, aryl, aralkyl, cycloalkyl, cycloalkenyl and heterocyclic; A is a bivalent alkyl radical selected from the group consisting of ##STR3## WHEREIN R.sub.1 is selected from the group consisting of hydrogen and lower alkyl, R.sub.2 and R.sub.3 are selected from the group consisting of alkyl, alkynyl, alkenyl, aryl, aralkyl, cycloalkyl, cycloalkenyl and heterocyclic and taken together with the carbon atom to which they are attached form a ring selected from the group consisting of carbon homo rings and unsaturated carbon homo rings of 3 to 7 carbon atoms and heterocyclic rings which may be substituted with lower alkyl or lower alkoxy and R.sub.2 and R.sub.3 may together form a polycyclic aromatic radical, R.sub.4 is lower alkyl, R.sub.5 is selected from the group consisting of hydrogen and lower alkyl and R.sub.4 and R.sub.5 together with the carbon atoms to which they are attached may form a saturated or unsaturated carbon homo ring or a heterocyclic ring, Y is selected from the group consisting of methylene and a saturated or unsaturated carbon chain and Y' is selected from the group consisting of methine and a saturated or unsaturated carbon chain with the proviso that when Z.sub.1 and Z.sub.2 are methyl and R.sub.1 is hydrogen, R.sub.2 is other than methyl and their preparation.

  新型环丙烷羧酸及其酯类化合物，其通式为##STR1##其中Z1和Z2选自氢、烷基、芳烷基、芳基、非共轭于环丙烷环的烯基、非共轭于环丙烷环的烯基、环烷基、环烯基和杂环；R选自OH和OR'，其中R'选自可能被取代的低级烷基、可能被取代在苯基或亚甲基部分的苄基、N-亚甲基二羧亚胺、(5-苄基-呋喃-3)甲基，以及通式为##STR2##的环戊烯，其中R"选自烷基、炔基、烯基、芳基、芳烷基、环烷基、环烯基和杂环；A为选自以下结构的二价烷基基团：##STR3##其中R1选自氢和低级烷基，R2和R3选自烷基、炔基、烯基、芳基、芳烷基、环烷基、环烯基和杂环，并与它们所连接的碳原子一起形成选自3至7个碳原子的碳同环和非饱和碳同环以及可能被低级烷基或低级烷氧基取代的杂环环，R2和R3可以一起形成多环芳香族基团，R4为低级烷基，R5选自氢和低级烷基，且R4和R5与它们所连接的碳原子一起可以形成饱和或非饱和碳同环或杂环环，Y选自亚甲基和饱和或非饱和碳链，Y'选自甲川基和饱和或非饱和碳链，但当Z1和Z2为甲基且R1为氢时，R2不得为甲基，以及它们的制备方法。
• Process for Producing 3-(2-Cyano-1-propenyl)-2,2- Dimethylcyclopropanecarboxylic Acid or Salt Thereof
  申请人：Uekawa Toru

  公开号：US20120016150A1

  公开（公告）日：2012-01-19

  A process for producing comprising reacting a 3-formyl-2,2-dimethylcyclopropanecarboxylate and propionitrile in the presence of a base to obtain 3-(2-cyano-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid or its salt.

  生产过程包括在碱的存在下，通过将3-甲酰基-2,2-二甲基环丙基羧酸酯和丙腈反应，得到3-(2-氰丙烯基)-2,2-二甲基环丙基羧酸或其盐。