6120-99-6

Basic information

• Product Name: DIPHENYL-4,4'-D2
• Synonyms: DIPHENYL-4,4'-D2
• CAS NO: 6120-99-6
• Molecular Formula: C12H8D2
• Molecular Weight: 156.22
• Mol File: 6120-99-6.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 257.956 °C at 760 mmHg
• Flash Point: 105.492 °C
• Appearance: /
• Density: 1.01 g/cm³
• CAS DataBase Reference: DIPHENYL-4,4'-D2(CAS DataBase Reference)
• NIST Chemistry Reference: DIPHENYL-4,4'-D2(6120-99-6)
• EPA Substance Registry System: DIPHENYL-4,4'-D2(6120-99-6)

Safety Data

• Hazardous Substances Data: 6120-99-6(Hazardous Substances Data)

Usage

Uses

Biphenyl-4,4''-d2 (CAS# 6120-99-6) is a useful isotopically labeled research compound.

Upstream product

• 112752-02-0 [1,1'-biphenyl]-4,4'-diyl bis(trifluoromethanesulfonate) 
• 4151-80-8 4,4'-biphenyldiboronic acid 
• 92-86-4 4-(4-bromophenyl)bromobenzene 
• 13122-34-4 1-chloro-4-deuterio-benzene 

Relevant articles and documents

Stepwise preparation of all- cis 1,3,4-trifluoro-2-phenylcyclohexane, avoiding a phenonium intermediate

The original synthesis of all-cis 1,2,4,5,-tetrafluoro-2-phenylcyclohexane resulted in a trifluorocyclohexene as a significant co-product of the final fluorination step. This product was notable in that an elimination reaction was accompanied by C-F bond formation that had occurred with a retention of configuration. In order to deconvolute this reaction, the two isomers of the ditriflate diol precursor were separated, and they were each treated independently with Et3N·3HF. One gave the original all-cis 1,2,4,5,-tetrafluoro-2-phenylcyclohexane and the other the trifluorocyclohexene. A deuterium labeling experiment was carried out, resulting in a distribution of the isotope in the trifluorocyclohexene consistent with an intermediate (symmetrical) phenonium intermediate. Cognisant of this, a controlled elimination reaction of one of the diastereoisomers with DBU, followed by hydrogenation, gave a cyclohexane triflate, which, on fluorination, gave the all-cis 1,2,3-trifluoro-2-phenylcyclohexane now with an inversion of configuration.

Method for reducing aromatic C-N/Cl C/I bond to aromatic-H / D

A method of reducing C an aromatic-N C/Cl/I bond to an aromatic-H / D, the process being a stable aromatic quaternary ammonium salt. After addition of the base and the solvent, the aromatic compound or the deuterated aromatic compound can be efficiently prepared by irradiation with visible light or ultraviolet light. The method can efficiently convert stable aromatic-N/I chemical bonds into aromatic-H / D bonds by visible light or ultraviolet light in a cheap and easily available solvent or deuterated solvent without using a catalyst or a transition metal compound C C. The whole production process is green, environment-friendly, low in cost, wide in substrate applicability, high in yield, high in deuterated rate, simple and convenient to operate, free of explosion risk and remarkable in advantage compared with the conventional production process.

Selective halogen - Magnesium exchange reaction via organomagnesium ate complex

Halogen-magnesium exchange of various aryl halides is achieved with a magnesium ate complex at low temperatures. Tributylmagnesate (nBu3MgLi) induces facile iodine-magnesium exchange at -78 °C. Dibutylisopropylmagnesate (iPrnBu2MgLi) is more reactive than nBu3MgLi, and this reagent accomplishes selective bromine-magnesium exchange at -78 °C. This procedure is utilized for the preparation of various polyfunctionalized arylmagnesium species. The exchange of alkenyl halides using this method proceeds with retention of configuration of the double bond.