3-Oxabicyclo[3.1.1]heptane-2,4-dione

Base Information

Chemical Name:3-Oxabicyclo[3.1.1]heptane-2,4-dione
CAS No.:4462-97-9
Molecular Formula:C₆H₆O₃
Molecular Weight:126.112
Hs Code.:
European Community (EC) Number:878-533-0
DSSTox Substance ID:DTXSID30466418
Wikidata:Q82292980

Synonyms:3-oxabicyclo[3.1.1]heptane-2,4-dione;4462-97-9;3-Oxa-bicyclo[3.1.1]heptane-2,4-dione;SCHEMBL11853951;DTXSID30466418;MFCD09867308;AKOS024436896;SB37220;AS-36445;CS-0215924;EN300-310605;(1s,5s)-3-oxabicyclo[3.1.1]heptane-2,4-dione;EN300-23607932

Suppliers and Price of 3-Oxabicyclo[3.1.1]heptane-2,4-dione

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

J&W Pharmlab
3-Oxa-bicyclo[3.1.1]heptane-2,4-dione 96%
1g
$ 1380.00

J&W Pharmlab
3-Oxa-bicyclo[3.1.1]heptane-2,4-dione 96%
500mg
$ 740.00

J&W Pharmlab
3-Oxa-bicyclo[3.1.1]heptane-2,4-dione 96%
250mg
$ 420.00

J&W Pharmlab
3-Oxa-bicyclo[3.1.1]heptane-2,4-dione 96%
100mg
$ 260.00

J&W Pharmlab
3-Oxa-bicyclo[3.1.1]heptane-2,4-dione 96%
5g
$ 4880.00

AK Scientific
3-Oxabicyclo[3.1.1]heptane-2,4-dione
5g
$ 3956.00

Total 6 raw suppliers

Chemical Property of 3-Oxabicyclo[3.1.1]heptane-2,4-dione

Chemical Property:

PSA：43.37000
LogP:0.09600
XLogP3:0.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:126.031694049
Heavy Atom Count:9
Complexity:157

Purity/Quality:

97% ^*data from raw suppliers

3-Oxa-bicyclo[3.1.1]heptane-2,4-dione 96% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2CC1C(=O)OC2=O

Technology Process of 3-Oxabicyclo[3.1.1]heptane-2,4-dione

There total 8 articles about 3-Oxabicyclo[3.1.1]heptane-2,4-dione 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: 70.0%

: 2398-16-5
cis-1,3-cyclobutane dicarboxylic acid

: 4462-97-9
cis-1,3-Cyclobutandicarbonsaeureanhydrid

Guidance literature:: With acetyl chloride; for 2.5h; Heating;

Reference yield:

: 7371-69-9
1,1,3,3-cyclobutanetetracarboxylic acid

: 4462-97-9
cis-cyclobutane-1,3-dicarboxylic acid anhydride

Guidance literature:: With acetyl chloride; Yield given. Multistep reaction; 1.) 185 deg C, from 60 Torr to 20 Torr;

Reference yield:

: 77614-64-3
7‐phenyl‐6,8‐dioxaspiro[3.5]nonane‐2,2‐dicarboxylic acid

: 4462-97-9
cis-cyclobutane-1,3-dicarboxylic acid anhydride

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / HNO₃

2: 2.) acetyl chloride / 1.) 185 deg C, from 60 Torr to 20 Torr

With nitric acid; acetyl chloride;