2-Hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-5-one

Base Information

Chemical Name:2-Hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-5-one
CAS No.:78472-10-3
Molecular Formula:C₇H₈O₄
Molecular Weight:156.138
Hs Code.:2932999099
DSSTox Substance ID:DTXSID20420029
Nikkaji Number:J2.365.961A
Mol file:78472-10-3.mol

Synonyms:78472-10-3;CHALOXONE;2-hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-5-one;NSC361125;DTXSID20420029;5-Hydroxy-3-methoxy-7-oxabicyclo[4.1.0]hepta-3-ene-2-one

Suppliers and Price of 2-Hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-5-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 2-Hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-5-one

Chemical Property:

Vapor Pressure:1.39E-07mmHg at 25°C
Boiling Point:386.9°C at 760 mmHg
Flash Point:170.4°C
PSA：59.06000
Density:1.42g/cm³
LogP:-0.77230
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:156.04225873
Heavy Atom Count:11
Complexity:233

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(C2C(C1=O)O2)O

Technology Process of 2-Hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-5-one

There total 3 articles about 2-Hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-5-one 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: 40.0%

: 57778-01-5,79254-24-3
(1R,2R,4R,5R,6R,7S)-6-Methoxy-3,8-dioxa-tricyclo[5.1.0.0^2,4]octan-5-ol

: 78472-10-3
Chaloxone

Guidance literature:: With dipyridine chromium trioxide; In dichloromethane; for 0.333333h; Ambient temperature;
DOI:10.1016/S0040-4039(01)92976-4

Reference yield:

: 52911-83-8,70004-08-9
(1R,2S,3R,4R,5S,6S)-3,4-Dibromo-7-oxa-bicyclo[4.1.0]heptane-2,5-diol

: 78472-10-3
Chaloxone

Guidance literature:: Multi-step reaction with 3 steps

1: 90 percent / BF₃*Et₂O / methanol / 24 h / Heating

2: 89 percent / potassium t-butoxide / dioxane; 2-methyl-propan-2-ol / 1 h / Ambient temperature

3: 40 percent / CrO_3.Py₂ / CH₂Cl₂ / 0.33 h / Ambient temperature

With boron trifluoride diethyl etherate; potassium tert-butylate; dipyridine chromium trioxide; In 1,4-dioxane; methanol; dichloromethane; tert-butyl alcohol;
DOI:10.1016/S0040-4039(01)92976-4

Reference yield:

: 79196-88-6
(1R,2S,3R,4R,5S,6S)-5,6-Dibromo-3-methoxy-cyclohexane-1,2,4-triol

: 78472-10-3
Chaloxone

Guidance literature:: Multi-step reaction with 2 steps

1: 89 percent / potassium t-butoxide / dioxane; 2-methyl-propan-2-ol / 1 h / Ambient temperature

2: 40 percent / CrO_3.Py₂ / CH₂Cl₂ / 0.33 h / Ambient temperature

With potassium tert-butylate; dipyridine chromium trioxide; In 1,4-dioxane; dichloromethane; tert-butyl alcohol;
DOI:10.1016/S0040-4039(01)92976-4