70122-89-3

Basic information

• Product Name: ALLYL TERT-BUTYL CARBONATE
• Synonyms: ALLYL-T-BUTYLCARBONATE;ALLYL TERT-BUTYL CARBONATE;CARBONIC ACID ALLYL ESTER TERT-BUTYL ESTER;Allyl Formic acid-tert-butyl ester
• CAS NO: 70122-89-3
• Molecular Formula: C₈H₁₄O₃
• Molecular Weight: 158.19
• Mol File: 70122-89-3.mol

Chemical Properties

• Boiling Point: 168 °C at 760 mmHg
• Flash Point: 60 °C
• Appearance: /
• Density: 0.955 g/cm³
• CAS DataBase Reference: ALLYL TERT-BUTYL CARBONATE(CAS DataBase Reference)
• NIST Chemistry Reference: ALLYL TERT-BUTYL CARBONATE(70122-89-3)
• EPA Substance Registry System: ALLYL TERT-BUTYL CARBONATE(70122-89-3)

Safety Data

• Hazardous Substances Data: 70122-89-3(Hazardous Substances Data)

Usage

Uses

Used in Plastics Industry:
ALLYL TERT-BUTYL CARBONATE is used as a plasticizer for [imparting flexibility and durability to plastics, reducing brittleness, and enhancing heat and light stability].
Used in Environmentally Friendly Alternatives:
ALLYL TERT-BUTYL CARBONATE is used as a replacement for phthalate-based plasticizers for [its low toxicity and environmental friendliness].
Used in Specialty Chemicals Synthesis:
ALLYL TERT-BUTYL CARBONATE is used as a raw material for [the synthesis of specialty chemicals in pharmaceuticals and agrochemicals].

Upstream product

• 15022-08-9 diallylcarbonate 
• 75-65-0 tert-butyl alcohol 
• 24424-99-5 di-tert-butyl dicarbonate 
• 2937-50-0 Allyl chloroformate 
• 865-48-5 sodium t-butanolate 
• 107-18-6 allyl alcohol 

Relevant articles and documents

High yielding allylation of a chiral secondary alcohol containing base sensitive functional groups

Inhibitors of neuronal nitric oxide synthase, based on a chiral pyrrolidine scaffold, show promise for the treatment of certain neurodegenerative diseases. We recently reported the synthesis of a series of selective inhibitors, but the method was limited at a key step of forming an allyl ether intermediate. Yields for this step were very inconsistent, and the presence of base sensitive functional groups limited the range of available methods for forming this ether bond. This work describes a novel application of palladium catalyzed decarboxylative allylation, consistently resulting in a 90% isolated yield, which is crucial for the synthesis of this critical late stage intermediate. We also report a new quantitative yielding and straightforward synthesis of the allyl-t-butylcarbonate precursor.

IDH2 mutant inhibitor with macrocyclic structure, and medical applications thereof

The present invention discloses a macrocyclic compound with a structure represented by a general formula (I), and a medical use thereof, or a pharmaceutically acceptable salt or solvate thereof, wherein L represents (CRaRb)n, 1-3 CRaRb groups can be replaced by O, NH, S or CH=CH, Z represents CRaRb, O, -NH-C(=O)-, -O-C(=O)- or -NH-, T is CH or N, X represents H, halogen, C3-C6 cycloalkyl, C1-C6 alkyl or C1-C6 haloalkyl, n is 4-10, and Ra and Rb are respectively and independently selected from H, halogen and C1-C6 alkyl. The inhibition effect of the macrocyclic compound provided by the invention on IDH2 is superior to the inhibition effect of the existing drug at a kinase level. According to the invention, the solubility of molecules and the overall fat solubility can be improved, so that the macrocyclic compound has the potential of penetrating through a blood-brain barrier, and is beneficial to solving the problem of brain tumors compared with the prior art.

Structure-based design, synthesis and bioactivity evaluation of macrocyclic inhibitors of mutant isocitrate dehydrogenase 2 (IDH2) displaying activity in acute myeloid leukemia cells

The enzymes involved in the metabolic pathways in cancer cells have been demonstrated as important therapeutic targets such as the isocitrate dehydrogenase 2 (IDH2). A series of macrocyclic derivatives was designed based on the marketed IDH2 inhibitor AG-221 by using the conformational restriction strategy. The resulted compounds showed moderate to good inhibitory potential against different IDH2-mutant enzymes. Amongst, compound C6 exhibited better IDH2R140Q inhibitory potency than AG-221, and showed excellent activity of 2-hydroxyglutarate (2-HG) suppression in vitro and its mesylate displayed good pharmacokinetic profiles. Moreover, C6 performed strong binding mode to IDH2R140Q after computational docking and dynamic simulation, which may serve as a good starting point for further development.

Synthesis of Amide Enol Carbamates and Carbonates through Cu(OTf)2-Catalyzed Reactions of Ynamides with t-Butyl Carbamates/Carbonates

A highly regioselective approach to access amide enol carbamates and carbonates 5a-5c′, 7a-7h, and 9 was developed through Cu(OTf)2-catalyzed reactions of ynamides 4 with t-butyl carbamates 2 and 8 and t-butyl carbonates 6. Moreover, this strategy was successfully applied to generate amide enol carbamates 11a-11s and 14a-14f from imides 10 and 13 with ynamides through an N-Boc cleavage-addition ring-opening process. A range of substituents was amenable to this transformation, and the desired amide enol carbamates and carbonates were obtained in moderate to good yields.

IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS

The invention provides novel imidazopyrazine derivatives having the general formula (I), wherein A and R1 to R11 are as described herein NA (I) and pharmaceutically acceptable salts thereof.5 Further provided are pharmaceutical compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds as medicaments, in particular methods of using the compounds as antibiotics for the treatment or prevention of bacterial infections and resulting diseases.

IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS

The invention provides novel imidazopyrazine derivatives having the general formula (I), wherein A and R1 to R11 are as described herein formula (I) and pharmaceutically acceptable salts thereof. Further provided are pharmaceutical compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds as medicaments, in particular methods of using the compounds as antibiotics for the treatment or prevention of bacterial infections and resulting diseases.

NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS

The invention provides novel imidazopyrazine derivatives having general formula (I), wherein R1 to R11 are as described herein, and pharmaceutically acceptable salts thereof. Further provided are pharmaceutical compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds as medicaments, in particular methods of using the compounds as antibiotics for the treatment or prevention of bacterial infections and related diseases.

NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES

The invention provides novel imidazole pyrazole derivatives having the general formula (I), and pharmaceutically acceptable salts thereof, wherein X1, RA and R3 to R7 are as described herein: (I) Further provided are pharmaceutical compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds as medicaments, in particular methods of using the compounds as antibiotics for the treatment or prevention of bacterial infections and resulting diseases.

NOVEL IMIDAZOPYRAZINE DERIVATIVES

The invention provides novel imidazopyrazine derivatives having the general formula (I), wherein A and R1 to R11 are as described herein (I) and pharmaceutically acceptable salts thereof. Further provided are pharmaceutical compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds as medicaments, in particular methods of using the compounds as antibiotics for the treatment or prevention of bacterial infections and related diseases.

IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS

The invention provides novel imidazopyrazine derivatives having the general formula (I), wherein A and R1 to R14 are as described herein (I) and pharmaceutically acceptable salts thereof. Further provided are pharmaceutical compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds as medicaments, in particular methods of using the compounds as antibiotics for the treatment or prevention of bacterial infections and resulting diseases.