(1R,6R)-2-oxo-3-oxabicyclo[4.1.0]heptane-1-carboxylic acid

Base Information

Chemical Name:(1R,6R)-2-oxo-3-oxabicyclo[4.1.0]heptane-1-carboxylic acid
CAS No.:161111-13-3
Molecular Formula:C₇H₈O₄
Molecular Weight:156.138
Hs Code.:
DSSTox Substance ID:DTXSID30438473
Nikkaji Number:J2.208.588C
Wikidata:Q82254230
Mol file:161111-13-3.mol

Synonyms:161111-13-3;(1R,6R)-2-oxo-3-oxabicyclo[4.1.0]heptane-1-carboxylic acid;3-Oxabicyclo[4.1.0]heptane-1-carboxylicacid,2-oxo-,(1R)-(9CI);CTK0H0833;DTXSID30438473;AJXGXCPFXYERBU-MHTLYPKNSA-N;(6alpha)-2-Oxo-3-oxabicyclo[4.1.0]heptane-1alpha-carboxylic acid

Suppliers and Price of (1R,6R)-2-oxo-3-oxabicyclo[4.1.0]heptane-1-carboxylic acid

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
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price

Total 1 raw suppliers

Chemical Property of (1R,6R)-2-oxo-3-oxabicyclo[4.1.0]heptane-1-carboxylic acid

Chemical Property:

PSA：63.60000
LogP:0.02420
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:156.04225873
Heavy Atom Count:11
Complexity:235

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COC(=O)C2(C1C2)C(=O)O
Isomeric SMILES:C1COC(=O)[C@]2([C@@H]1C2)C(=O)O

Technology Process of (1R,6R)-2-oxo-3-oxabicyclo[4.1.0]heptane-1-carboxylic acid

There total 3 articles about (1R,6R)-2-oxo-3-oxabicyclo[4.1.0]heptane-1-carboxylic acid 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:

: 161111-11-1
Di-tert-butyl (R)-2-(2-(benzyloxy)ethyl)cyclopropane-1,1-dicarboxylate

: 161111-13-3
(1R,6R)-1-Carboxy-3-oxabicyclo<4.1.0>-2-heptanone

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / H₂ / 10percent Pd/C / methanol

2: CF₃COOH / CH₂Cl₂ / Heating

With hydrogen; trifluoroacetic acid; palladium on activated charcoal; In methanol; dichloromethane;
DOI:10.1021/jo00097a040

Reference yield:

: 161111-10-0
Di-tert-butyl (4-(benzyloxy)-(S)-2-(tosyloxy)butyl)malonate

: 161111-13-3
(1R,6R)-1-Carboxy-3-oxabicyclo<4.1.0>-2-heptanone

Guidance literature:: Multi-step reaction with 3 steps

1: 93 percent / KHMDS / tetrahydrofuran / 1.) -78 to 0 deg C, 20 min, 2.) 0 deg C, 20 min

2: 99 percent / H₂ / 10percent Pd/C / methanol

3: CF₃COOH / CH₂Cl₂ / Heating

With hydrogen; potassium hexamethylsilazane; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1021/jo00097a040