2235-12-3 Usage
Description
1,3,5-Hexatriene, the simplest conjugated triene, is a hydrocarbon with a unique structure that features two geometrical isomers, with the cis form being the open chain analog of benzene. Its molecular structure consists of a conjugated system with a single sigma bond separating the pi bonds, allowing for delocalization of pi electron density between the C-C bonds. This results in six adjacent carbon atoms participating in the pi system, creating six pi molecular orbitals: ψ1, ψ2, ψ3, ψ4, ψ5, and ψ6 (also referred to as π1, π2, π3, π4, π5, and π6).
Uses
Used in Chemical Synthesis:
1,3,5-Hexatriene is used as a building block for the synthesis of various organic compounds due to its conjugated triene system and unique molecular orbitals. The delocalization of pi electrons allows for versatile chemical reactions, making it a valuable intermediate in the production of complex organic molecules.
Used in Polymer Industry:
1,3,5-Hexatriene is used as a monomer for the production of specialty polymers that exhibit unique properties, such as improved conductivity or enhanced mechanical strength. The conjugated system and pi electron delocalization contribute to these desirable characteristics, making it an important component in the development of advanced materials.
Used in Pharmaceutical Research:
1,3,5-Hexatriene is utilized in the study of molecular interactions and the development of new pharmaceutical compounds. Its conjugated system and unique molecular orbitals provide insights into the behavior of similar structures in biologically active molecules, aiding in the design of novel drugs with improved efficacy and selectivity.
Used in Material Science:
1,3,5-Hexatriene is employed in the research and development of advanced materials with specific optical, electronic, or magnetic properties. The conjugated system and pi electron delocalization make it a valuable model for understanding the behavior of materials at the molecular level, leading to the creation of innovative materials with tailored properties for various applications.
Preparation
1,3,5-Hexatriene has been prepared by pyrolysis of s-divinylglycol diformate, condensation of allyl chloride with sodamide, phthalic anhydride dehydration of 1,5-hexadiene-3-ol and debromination of 3,4-dibromohexa-diene-1,5 with zinc. The product in method contained cyclohexadiene, and the purification of the substance seems to have been incomplete in all cases.
Check Digit Verification of cas no
The CAS Registry Mumber 2235-12-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,2,3 and 5 respectively; the second part has 2 digits, 1 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 2235-12:
(6*2)+(5*2)+(4*3)+(3*5)+(2*1)+(1*2)=53
53 % 10 = 3
So 2235-12-3 is a valid CAS Registry Number.
InChI:InChI=1/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2/b6-5+
2235-12-3Relevant articles and documents
Lewis,Steiner
, p. 3080,3081,3084 (1964)
Highly Efficient Photocatalytic Degradation of Dyes by a Copper–Triazolate Metal–Organic Framework
Liu, Chen-Xia,Zhang, Wen-Hua,Wang, Nan,Guo, Penghu,Muhler, Martin,Wang, Yuemin,Lin, Shiru,Chen, Zhongfang,Yang, Guang
supporting information, p. 16804 - 16813 (2018/10/31)
A copper(I) 3,5-diphenyltriazolate metal–organic framework (CuTz-1) was synthesized and extensively characterized by using a multi-technique approach. The combined results provided solid evidence that CuTz-1 features an unprecedented Cu5tz6 cluster as the secondary building unit (SBU) with channels approximately 8.3 ? in diameter. This metal–organic framework (MOF) material, which is both thermally and chemically (basic and acidic) stable, exhibited semiconductivity and high photocatalytic activity towards the degradation of dyes in the presence of H2O2. Its catalytic performance was superior to that of reported MOFs and comparable to some composites, which has been attributed to its high efficiency in generating .OH, the most active species for the degradation of dyes. It is suggested that the photogenerated holes are trapped by CuI, which yields CuII, the latter of which behaves as a catalyst for a Fenton-like reaction to produce an excess amount of .OH in addition to that formed through the scavenging of photogenerated electrons by H2O2. Furthermore, it was shown that a dye mixture (methyl orange, methyl blue, methylene blue, and rhodamine B) could be totally decolorized by using CuTz-1 as a photocatalyst in the presence of H2O2 under the irradiation of a Xe lamp or natural sunlight.
Chemical Synthesis and Self-Assembly of a Ladderane Phospholipid
Mercer, Jaron A. M.,Cohen, Carolyn M.,Shuken, Steven R.,Wagner, Anna M.,Smith, Myles W.,Moss, Frank R.,Smith, Matthew D.,Vahala, Riku,Gonzalez-Martinez, Alejandro,Boxer, Steven G.,Burns, Noah Z.
supporting information, p. 15845 - 15848 (2016/12/23)
Ladderane lipids produced by anammox bacteria constitute some of the most structurally fascinating yet poorly studied molecules among biological membrane lipids. Slow growth of the producing organism and the inherent difficulty of purifying complex lipid mixtures have prohibited isolation of useful amounts of natural ladderane lipids. We have devised a highly selective total synthesis of ladderane lipid tails and a full phosphatidylcholine to enable biophysical studies on chemically homogeneous samples of these molecules. Additionally, we report the first proof of absolute configuration of a natural ladderane.
