1,5,5-Trichloro-7-oxabicyclo[4.1.0]heptane

Base Information

• Chemical Name: 1,5,5-Trichloro-7-oxabicyclo[4.1.0]heptane
• CAS No.: 71648-20-9
• Molecular Formula: C6H7 Cl3 O
• Molecular Weight: 201.48
• European Community (EC) Number: 275-748-6
• DSSTox Substance ID: DTXSID20992216
• Nikkaji Number: J298.982D
• Mol file: 71648-20-9.mol

Synonyms:71648-20-9;1,5,5-TRICHLORO-7-OXABICYCLO[4.1.0]HEPTANE;EINECS 275-748-6;1,5,5-Trichloro-7-oxabicyclo(4.1.0)heptane;SCHEMBL4465630;DTXSID20992216;AKOS024334317

Chemical Property of 1,5,5-Trichloro-7-oxabicyclo[4.1.0]heptane

Chemical Property:

• Vapor Pressure: 0.0111mmHg at 25°C
• Boiling Point: 270.8°C at 760 mmHg
• Flash Point: 115.1°C
• PSA: 12.53000
• Density: 1.51g/cm³
• LogP: 2.67810
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 199.956248
• Heavy Atom Count: 10
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

2,6,6-TRICHLORO-1,2-EPOXYCYCLOHEXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC2(C(O2)C(C1)(Cl)Cl)Cl

Technology Process of 1,5,5-Trichloro-7-oxabicyclo[4.1.0]heptane

There total 2 articles about 1,5,5-Trichloro-7-oxabicyclo[4.1.0]heptane 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: 96.5%

2,2,6,6-tetrachlorocyclohexanol (56207-45-5) → 1,3,3-trichloro-7-oxabicyclo<4.1.0>heptane (71648-20-9)

Guidance literature:

With sodium hydroxide; for 1.25h; Ambient temperature;

DOI:10.1039/c39930000476

Reference yield:

2,2,6,6-tetrachlorocyclohexanone (3776-30-5) → 1,3,3-trichloro-7-oxabicyclo<4.1.0>heptane (71648-20-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / NaBH₄ / diethyl ether; methanol / 1 h / Ambient temperature

2: 92 percent / NaOH / H₂O / 1.25 h / Ambient temperature

With sodium hydroxide; sodium tetrahydroborate; In methanol; diethyl ether; water;

Reference yield: 92.0%

1,3,3-trichloro-7-oxabicyclo<4.1.0>heptane (71648-20-9) → 2,2,6-trichloro-6-fluorocyclohexanol

Guidance literature:

With boron trifluoride diethyl etherate; In 1,2-dichloro-ethane; for 3.5h; Heating;

DOI:10.1039/c39930000476

upstream raw materials:

2,2,6,6-tetrachlorocyclohexanol

2,2,6,6-tetrachlorocyclohexanone

Downstream raw materials:

2,2-dichloro-6,6-difluorocyclohexanol

Refernces

• 1、 Duhamel, Pierre,Leblond, Bertrand,Poirier, Jean-Marie. "Nucleophilic Fluorination by Selective Ring Opening of α-Halooxiranes". . p. 476 - 477. Retrieved 2007/10/02.