5417-35-6

Basic information

• Product Name: 4,7-dihydro-2-isopropyl-1,3-dioxepin
• Synonyms: 4,7-dihydro-2-isopropyl-1,3-dioxepin
• CAS NO: 5417-35-6
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.19556
• EINECS: 226-518-9
• Mol File: 5417-35-6.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 180.4°Cat760mmHg
• Flash Point: 56.3°C
• Appearance: /
• Density: 0.937g/cm³
• Refractive Index: 1.659
• CAS DataBase Reference: 4,7-dihydro-2-isopropyl-1,3-dioxepin(CAS DataBase Reference)
• NIST Chemistry Reference: 4,7-dihydro-2-isopropyl-1,3-dioxepin(5417-35-6)
• EPA Substance Registry System: 4,7-dihydro-2-isopropyl-1,3-dioxepin(5417-35-6)

Safety Data

• Hazardous Substances Data: 5417-35-6(Hazardous Substances Data)

Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 21, p. 1366, 1956 DOI: 10.1021/jo01118a007

InChI:InChI=1/C28H25N3O6/c1-17-12-13-20(14-18(17)2)31-27(34)21(26(33)30-28(31)35)15-19-8-4-6-10-23(19)37-16-25(32)29-22-9-5-7-11-24(22)36-3/h4-15H,16H2,1-3H3,(H,29,32)(H,30,33,35)

Upstream product

• 6117-80-2 1,4-butenediol 
• 41632-89-7 isobutyraldehyde dimethyl acetal 
• 78-84-2 isobutyraldehyde 
• 149-73-5 trimethyl orthoformate 
• 821-11-4 1,4-butenediol 

Downstream Products

• 58-56-0 pyridoxal hydrochloride 
• 92671-67-5 8-methyl-3-(propan-2-yl)-1H,3H,5H-[1,3]dioxepino[5,6-c]pyridin-9-yl acetate 
• 5205-63-0 Diels-Alder adduct 
• 33140-27-1 ethyl 2-isocyanopropionate 
• 1622-67-9 4,5'-O-isobutylidenepyridoxine 
• 108782-37-2 2-isopropyl-6-phenyl-7-formyl-2,4,5,8-tetrahydro-1,3-dioxa-5-azocine 
• 136264-10-3 ((R)-2-Isopropyl-[1,3]dioxan-4-yl)-methanol 
• 108782-45-2 endo-4-isopropyl-8-phenyl-3,5,10-trioxa-9-azabicyclo<5,3,0>-8-decene 
• 108782-45-2 exo-4-isopropyl-8-phenyl-3,5,10-trioxa-9-azabicyclo<5,3,0>-8-decene 

Relevant articles and documents

Stereocontrolled Route to 2,3,5-Trisubstituted Tetrahydrofurans. Intermediates for the Total Synthesis of Polyether Antibiotics.

The stereoselective synthesis of diastereomers of 2,3,5-trisubstituted tetrahydrofurans has been accomplished by Lewis acid catalyzed acetal rearrangement.The reaction sequence starts with 4,7-dihydro-1,3-dioxepins 4, which are isomerized to 4,5-dihydro-1,3-dioxepins 6.The key step of the procedure is the stereocontrolled rearrangement of these mixed alkyl vinyl acetals 6, followed by reduction. 2,3,5-Trisubstituted tetrahydrofurans are of general interest for the synthesis of polyether antibiotics.

Synthesis and cytotoxic properties of some cyclic acetals of diols and their dichlorocyclopropyl derivatives

Cyclic acetals of ethylene glycol, cis-but-2-ene-1,4-diol and their dichlorocyclopropyl derivatives were synthesized. Compounds simultaneously containing the gem-dichlorocyclopropane and 1,3-dioxacycloalkane cycles are shown to exhibit cytotoxic activity against the HEK293, SH-SY5Y, HepG2, MCF-7, A549, and Jurkat cell lines. The obtained results open up prospects for further studies of antitumor activity of 2-(2,2-dichlorocyclopropyl)-2-ethyl-1,3-dioxolane.

Monofunctional metathesis polymers via sacrificial diblock copolymers

(Chemical Equation Presented) A small price to pay: The second block of a diblock copolymer is "sacrificed" in order to leave behind a monofunctionalized metathesis polymer with a hydroxy end group. By incorporation of a dioxepine unit into the copolymer, a breaking point is created between the block to be end-functionalized and the block to be sacrificed.