Cyclohexanecarbonyl fluoride, 2-methoxy-3-oxo-, (1S-cis)-(9CI)

Base Information

Chemical Name:Cyclohexanecarbonyl fluoride, 2-methoxy-3-oxo-, (1S-cis)-(9CI)
CAS No.:174709-89-8
Molecular Formula:C8H11 F O3
Molecular Weight:174.1695432
Hs Code.:
DSSTox Substance ID:DTXSID20444967
Wikidata:Q82263259
Mol file:174709-89-8.mol

Synonyms:174709-89-8;Cyclohexanecarbonyl fluoride, 2-methoxy-3-oxo-, (1S-cis)- (9CI);(1S,2S)-2-methoxy-3-oxocyclohexane-1-carbonyl fluoride;CTK0H1028;DTXSID20444967;FRCOWCBLQUNFHY-FSPLSTOPSA-N;Cyclohexanecarbonyl fluoride, 2-methoxy-3-oxo-, (1S-cis)-(9CI)

Suppliers and Price of Cyclohexanecarbonyl fluoride, 2-methoxy-3-oxo-, (1S-cis)-(9CI)

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 2 raw suppliers

Chemical Property of Cyclohexanecarbonyl fluoride, 2-methoxy-3-oxo-, (1S-cis)-(9CI)

Chemical Property:

PSA：43.37000
LogP:0.86670
XLogP3:0.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:174.06922237
Heavy Atom Count:12
Complexity:203

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1C(CCCC1=O)C(=O)F
Isomeric SMILES:CO[C@H]1[C@H](CCCC1=O)C(=O)F

Technology Process of Cyclohexanecarbonyl fluoride, 2-methoxy-3-oxo-, (1S-cis)-(9CI)

There total 7 articles about Cyclohexanecarbonyl fluoride, 2-methoxy-3-oxo-, (1S-cis)-(9CI) 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: 99.0%

: 174709-88-7
(1S,2S)-2-methoxy-3-oxocyclohexanecarboxylic acid

: 174709-89-8
(1S,2S)-2-methoxy-3-oxocyclohexanecarbonyl fluoride

Guidance literature:: With pyridine; trifluoro-[1,3,5]triazine; In dichloromethane; at -30 - -20 ℃; for 1h;
DOI:10.1021/jo951693i

Reference yield:

: 158252-23-4
(1S,2R)-2-methoxy-3-cyclohexenyl-1-carboxylic acid

: 174709-89-8
(1S,2S)-2-methoxy-3-oxocyclohexanecarbonyl fluoride

Guidance literature:: Multi-step reaction with 5 steps

1: 85 percent / NaHCO₃, KI, I₂ / H₂O

2: 99 percent / Bu₃SnH, AIBN / benzene

3: 99 percent / LiOH / H₂O; tetrahydrofuran / 1.) 0 deg C, 30 min, 2.) room temperature, 16 h

4: 89 percent / acetone, CrO₃, H₂SO₄ / H₂O / 1.) 0 deg C, 1 h, 2.) room temperature, overnight

5: 99 percent / cyanuric fluoride, pyridine / CH₂Cl₂ / 1 h / -30 - -20 °C

With pyridine; chromium(VI) oxide; lithium hydroxide; trifluoro-[1,3,5]triazine; 2,2'-azobis(isobutyronitrile); sulfuric acid; iodine; tri-n-butyl-tin hydride; sodium hydrogencarbonate; acetone; potassium iodide; In tetrahydrofuran; dichloromethane; water; benzene;
DOI:10.1021/jo951693i

Reference yield:

: 158195-43-8
acetic acid (6S)-(10,10-dimethyl-3,3-dioxo-3λ⁶-thia-4-aza-tricyclo[5.2.1.0^1,5]decane-4-carbonyl)-(1R)-cyclohex-2-enyl ester

: 174709-89-8
(1S,2S)-2-methoxy-3-oxocyclohexanecarbonyl fluoride

Guidance literature:: Multi-step reaction with 7 steps

1: 99 percent / LiOH*H₂O / tetrahydrofuran; H₂O / Ambient temperature

2: 1.) KOH, Bu₄NHSO₄, 2.) H₂O / 1.) THF

3: 85 percent / NaHCO₃, KI, I₂ / H₂O

4: 99 percent / Bu₃SnH, AIBN / benzene

5: 99 percent / LiOH / H₂O; tetrahydrofuran / 1.) 0 deg C, 30 min, 2.) room temperature, 16 h

6: 89 percent / acetone, CrO₃, H₂SO₄ / H₂O / 1.) 0 deg C, 1 h, 2.) room temperature, overnight

7: 99 percent / cyanuric fluoride, pyridine / CH₂Cl₂ / 1 h / -30 - -20 °C

With pyridine; chromium(VI) oxide; potassium hydroxide; lithium hydroxide; trifluoro-[1,3,5]triazine; 2,2'-azobis(isobutyronitrile); sulfuric acid; water; iodine; tri-n-butyl-tin hydride; tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate; acetone; potassium iodide; In tetrahydrofuran; dichloromethane; water; benzene;
DOI:10.1021/jo951693i