1,3-Dioxepane

Base Information

• Chemical Name: 1,3-Dioxepane
• CAS No.: 505-65-7
• Molecular Formula: C5H10 O2
• Molecular Weight: 102.133
• Hs Code.: 2932999099
• European Community (EC) Number: 208-015-6
• NSC Number: 62077
• UNII: 06TKO0IFJN
• DSSTox Substance ID: DTXSID0029183
• Nikkaji Number: J182.258F
• Wikidata: Q19759739
• Mol file: 505-65-7.mol

Synonyms:1,3-Dioxepane;Tetramethylene formal;505-65-7;1,3-Dioxepan;1,3-Dioxacycloheptane;1,4-Butanediol formal;TETRAMETHYLENEFORMAL;1,3-Dioxepin, tetrahydro-;Formaldehyde, cyclic tetramethylene acetal;UNII-06TKO0IFJN;06TKO0IFJN;EINECS 208-015-6;NSC 62077;NSC-62077;EC 208-015-6;[1,3]dioxepane;BUTANEDIOL FORMAL;SCHEMBL27370;DTXSID0029183;NSC62077;AKOS028108558;FT-0690874;W-109085;Q19759739;25037-55-2

Chemical Property of 1,3-Dioxepane

Chemical Property:

• Vapor Pressure: 8mmHg at 25°C
• Refractive Index: 1.4300
• Boiling Point: 139.5°Cat760mmHg
• Flash Point: 37.7°C
• PSA: 18.46000
• Density: 0.96g/cm³
• LogP: 0.77090
• Water Solubility.: 263g/L at 20℃
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 102.068079557
• Heavy Atom Count: 7
• Complexity: 39.3

Purity/Quality:

98% ^*data from raw suppliers

1,3-DIOXEPANE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 11
• Safety Statements: 16-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1CCOCOC1

Technology Process of 1,3-Dioxepane

There total 9 articles about 1,3-Dioxepane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Butane-1,4-diol (110-63-4) → 1,3-dioxepane (505-65-7)

Guidance literature:

With sulfur dioxide;

Reference yield: 55.0%

methanol (67-56-1) + Butane-1,4-diol (110-63-4) → 1,3-dioxepane (505-65-7)

Guidance literature:

With iron(III) chloride hexahydrate; sodium nitrite; at 50 ℃; for 24h; UV-irradiation;

DOI:10.1134/S1070428018110143

Reference yield: 24.0%

→ 1,3-dioxepane (505-65-7)

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; In 1,4-dioxane; at 40 ℃; for 0.5h; Sealed tube; Sonication;

upstream raw materials:

1,3-dioxa-5-cycloheptene

formaldehyd

Butane-1,4-diol

N-Phenyl-2-naphthylamine

Downstream raw materials:

Hexamethyldisiloxane

4-iodobutyl iodomethyl ether

4-methoxybutanol