Hexahydro-1,4,5-Oxadiazepine hydrobroMideHexahydro-1,4,5-Oxadiazepine hydrobroMide

Base Information

• Chemical Name: Hexahydro-1,4,5-Oxadiazepine hydrobroMideHexahydro-1,4,5-Oxadiazepine hydrobroMide
• CAS No.: 243973-70-8
• Molecular Formula: C4H11BrN2O
• Molecular Weight: 183.04814
• Hs Code.: 2934999090
• Mol file: 243973-70-8.mol

Synonyms:1,4,5-oxadiazepane dihydrobromide;Hexahydro-1,4,5-oxadiazepine hydrobroMide;hexahydro-1,4,5-Oxadiazepine dihydrobromide;Hexahydro-1,4,5-Oxadiazepine hydrobroMideHexahydro-1,4,5-Oxadiazepine hydrobroMide

Chemical Property of Hexahydro-1,4,5-Oxadiazepine hydrobroMideHexahydro-1,4,5-Oxadiazepine hydrobroMide

Chemical Property:

• Melting Point: 138-141 °C (decomp)
• PSA: 33.29000
• LogP: 0.72650

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1,4,5-Oxadiazepane Dihydrobromide is an intermediate in the synthesis of Pinoxaden Despivoloyl (P469520) which is a useful intermediate in the preparation of the pesticide pinoxaden (P469505).

Technology Process of Hexahydro-1,4,5-Oxadiazepine hydrobroMideHexahydro-1,4,5-Oxadiazepine hydrobroMide

There total 2 articles about Hexahydro-1,4,5-Oxadiazepine hydrobroMideHexahydro-1,4,5-Oxadiazepine hydrobroMide 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: 92.0%

1,4,5-oxadiazepane-4,5-dicarboxylic acid di-tert-butyl ester (243973-69-5) → hexahydro[1,4,5]-oxadiazepine dihydrobromide (243973-70-8)

Guidance literature:

With hydrogen bromide; acetic acid; at 90 ℃; for 0.0555556h; Temperature; Flow reactor;

Reference yield:

1,2-bis(t-butyloxycarbonyl)hydrazine (16466-61-8) → 1,4,5-oxadiazepane hydrobromide (243973-70-8)

Guidance literature:

With hydrogen bromide; In tert-butyl methyl ether; at -10 ℃; Reflux;

Reference yield: 66.0%

hexahydro[1,4,5]-oxadiazepine dihydrobromide (243973-70-8) + 1,3-diethyl 2-[[3-(trifluoromethyl)phenyl]methylene]propanedioate (93098-26-1) → ethyl-7-oxo-9-(3-(trifluoromethyl)phenyl)hexahydro-1H-pyrazolo[1,2-d][1,4,5]oxadiazepine-8-carboxylate

Guidance literature:

With triethylamine; In ethanol; Inert atmosphere;

upstream raw materials:

1,4,5-oxadiazepane-4,5-dicarboxylic acid di-tert-butyl ester

1,2-bis(t-butyloxycarbonyl)hydrazine

Downstream raw materials:

C₁₀H₁₂FN₃O

C₁₀H₁₀FN₃O₃

C₁₄H₁₆FN₃O₄

C₁₈H₁₈FN₃O₃

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