6032-74-2

Basic information

• Product Name: 4-phenyl-5-{2-[4-(propan-2-yloxy)phenyl]ethyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Synonyms: 4H-1,2,4-Triazole-3-thiol, 5-[2-[4-(1-methylethoxy)phenyl]ethyl]-4-phenyl-; 5-[2-(4-Isopropoxyphenyl)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
• CAS NO: 6032-74-2
• Molecular Formula: C₁₀H₁₄O₄
• Molecular Weight: 339.4545
• Mol File: 6032-74-2.mol

Chemical Properties

• Boiling Point: 462.6°C at 760 mmHg
• Flash Point: 233.6°C
• Density: 1.18g/cm³
• Vapor Pressure: 9.72E-09mmHg at 25°C
• Refractive Index: 1.621
• CAS DataBase Reference: 4-phenyl-5-{2-[4-(propan-2-yloxy)phenyl]ethyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione(CAS DataBase Reference)
• NIST Chemistry Reference: 4-phenyl-5-{2-[4-(propan-2-yloxy)phenyl]ethyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione(6032-74-2)
• EPA Substance Registry System: 4-phenyl-5-{2-[4-(propan-2-yloxy)phenyl]ethyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione(6032-74-2)

Safety Data

• Hazardous Substances Data: 6032-74-2(Hazardous Substances Data)

Upstream product

• 110-86-1 pyridine 
• 34926-61-9 3,4-dibromo-adipic acid diethyl ester 
• 64-17-5 ethanol 
• 3588-17-8 (2E,4E)-2,4-hexadienedioic acid 
• 18852-51-2 sodium cyanoacetic acid ethyl ester 
• 6032-77-5 diethyl (2Z,4Z)-2,4-hexadienedioate 
• 124-41-4 sodium methylate 
• 1119-43-3 (E,E)-hexa-2,4-dienedioic acid dimethyl ester 
• 73843-49-9 (Z)-2-Phenylsulfanyl-hex-2-enedioic acid diethyl ester 
• 58823-55-5 (E,E)-muconic acid dichloride 
• 867-13-0 diethoxyphosphoryl-acetic acid ethyl ester 
• 4405-13-4 glyoxal trimer dihydrate 
• 23147-58-2 glycolaldehyde dimer 
• 1099-45-2 ethyl (triphenylphosphoranylidene)acetate 

Downstream Products

• 101743-98-0 5-oxo-6-phenyl-cyclohex-2-ene-1,4-dicarboxylic acid diethyl ester 
• 25432-03-5 hex-3-enedioic acid diethyl ester 
• 107550-83-4 (2E,4E)-hexa-2,4-diene-1,6-diol 
• 150919-19-0 (2E,4E)-6-(tert-Butyl-diphenyl-silanyloxy)-hexa-2,4-dien-1-ol 
• 108918-83-8 (η2-diethyl muconate){biacetyl bis(4-methoxyanil)}dicarbonyliron 
• 82134-11-0 ((CH₃OC₆H₄NCCH₃)2)((CH₃CH₂OCOCHCH)2)(CO)Fe 

Relevant articles and documents

Synthesis method of (E, E) -1 and 3 - conjugated dienes

The invention discloses a synthesis method of (Z,Z)-1,3-conjugated diene. The synthesis method comprises the following steps of, in a dioxane/water solvent system, heating a propiolate derivative andtriethylene diamine in the presence of an inert gas, and reacting to generate the (Z,Z)-1,3-conjugated diene. The method is simple, no noble metal is used as a catalyst; the cost is low, and further,an environment cannot be polluted.

Ruthenium-catalysed oxidative coupling of vinyl derivatives and application in tandem hydrogenation

The first ruthenium-catalyzed oxidative homo- and cross-coupling of exclusive vinyl derivatives giving highly valued 1,3-diene building blocks is reported. The catalytic system is based on readily available reagents and it mainly delivers the E,E isomer. This methodology also enables the synthesis of adipic acid ester derivatives in a one-pot fashion after in situ ruthenium-catalyzed hydrogenation.

Pd-catalyzed oxidative homo-coupling of acrylates and aromatic alkenes for the conjugated diene synthesis

We developed a bidentate monoanionic nitrogen ligand that was effective in the Pd-catalyzed oxidative homo-coupling reaction of acrylates and aromatic alkenes. In the presence of Pd(OAc)2/ligand several conjugated dienes were obtained in good yields with high stereoselectivities.

A cyclohexene - 1, 4 - dicarboxylic acid diester preparation method (by machine translation)

The invention discloses a cyclohexene - 1, 4 - dicarboxylic acid diester preparation method. The preparation method uses anti-, anti-- hexadiene diallyl two acid as raw material, access to a certain pressure of ethylene gas, keep a certain reaction temperature, under the action of the acidic catalyst, with the low-carbon aliphatic alcohol reaction, through esterification with the Diels - Alder cycloaddition reaction, high selectivity to make the cyclohexene - 1, 4 - dicarboxylic acid diester; the acid catalyst is a proton acid and/or a solid acid catalyst; the low carbon fatty alcohol is C1 - C4 A polyol or diol in the one or more than two. Ethylene pressure is 0.1 - 10 mpa; the reaction temperature is 100 - 300 °C; the reaction time is 0.1 - 10 hours. In the anti-, anti-- hexadiene diallyl two acid conversion is 99% when, cyclohexene - 1, 4 - dicarboxylic acid diester total selectivity can be up to 99% or more. (by machine translation)

Production of Diethyl Terephthalate from Biomass-Derived Muconic Acid

We report a cascade synthetic route to directly obtain diethyl terephthalate, a replacement for terephthalic acid, from biomass-derived muconic acid, ethanol, and ethylene. The process involves two steps: First, a substituted cyclohexene system is built through esterification and Diels-Alder reaction; then, a dehydrogenation reaction provides diethyl terephthalate. The key esterification reaction leads to improved solubility and modulates the electronic properties of muconic acid, thus promoting the Diels-Alder reaction with ethylene. With silicotungstic acid as the catalyst, nearly 100 % conversion of muconic acid was achieved, and the cycloadducts were formed with more than 99.0 % selectivity. The palladium-catalyzed dehydrogenation reaction preferentially occurs under neutral or mildly basic conditions. The total yield of diethyl terephthalate reached 80.6 % based on the amount of muconic acid used in the two-step synthetic process.

METHOD FOR PRODUCING MUCONIC ACIDS AND FURANS FROM ALDARIC ACIDS

The present invention relates to selective catalytic dehydroxylation method of aldaric acids for producing muconic acid and furan chemicals, which can be used directly in fine chemical and polymer applications (FCA/FDCA) and as intermediates in the preparation of industrially significant chemicals, such as terephthalic acid, adipic acid, caprolactone, caprolactam, nylon 6.6, 1,6-hexanediol and multiple pharmaceutical building blocks (MA/MAME).

PDC-mediated tandem oxidative-wittig olefination

A convenient tandem oxidative-Wittig olefination of a primary alcohols to α,β-unsaturated compounds using pyridinium dichromate (PDC) is described.

Rhodium-catalyzed decarboxylative and dehydrogenative coupling of maleic acids with alkynes and alkenes

The dehydrogenative coupling of maleic acids with alkynes proceeds smoothly accompanied by decarboxylation under rhodium catalysis to produce variously substituted α-pyrone derivatives. The catalyst system is also applicable to the coupling with 1,3-diyne

DMP-mediated one-pot oxidative olefination of silyl ethers

Silyl ethers of arylic, allylic, propargylic and unactivated alcohols could be deprotected and oxidized with Dess-Martin periodinane, and the resulting aldehydes could be directly converted to the corresponding α,β- unsaturated esters in one pot with stabilized phosphoranes. Good selectivities were achieved upon a variety of protecting groups of alcohol by using this method. Other advantages of the protocol included simplicity of operations and high efficiency, as well as good to excellent yields.

Domino primary alcohol oxidation-wittig reaction: Total synthesis of ABT-418 and (E)-4-oxonon-2-enoic acid

Domino oxidation of primary alcohols to α,β-unsaturated compounds using the combination of PCC-NaOAc and stabilized Wittig reagent and its application towards total synthesis of ABT-418 and 4-oxonon-2-enoic acid is described.