1-(Furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione

Base Information

Chemical Name:1-(Furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione
CAS No.:52259-61-7
Molecular Formula:C₁₅H₂₂O₄
Molecular Weight:266.337
Hs Code.:2932190090
NSC Number:256945
DSSTox Substance ID:DTXSID70966629
Nikkaji Number:J59.354K
Metabolomics Workbench ID:46871
Mol file:52259-61-7.mol

Synonyms:7-Hydroxymyoporone;10-Hydroxymyoporone;52259-61-7;MYOPORONE, 7-HYDROXY;MYOPORONE, 7-HYDROXY-;1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione;4,8-Dimethyl-1-(3-furyl)-7-hydroxy-1,6-nonanedione;NSC 256945;1-furan-3-yl-7-hydroxy-4,8-dimethylnonane-1,6-dione;BRN 1288314;1,6-NONANEDIONE, 4,8-DIMETHYL-1-(3-FURYL)-7-HYDROXY-;NSC-256945;NSC256945;7-HYDROXY-MYOPORONE;SCHEMBL22501689;DTXSID70966629;CHEBI:174496;AKOS015905095;LS-96856;1-(3-furyl)-7-hydroxy-4,8-dimethyl-1,6-nonanedione;1-(uran-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione

Suppliers and Price of 1-(Furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-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

American Custom Chemicals Corporation
7-HYDROXYMYOPORONE 95.00%
5MG
$ 503.62

Total 6 raw suppliers

Chemical Property of 1-(Furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione

Chemical Property:

Vapor Pressure:1.27E-07mmHg at 25°C
Boiling Point:414.8°Cat760mmHg
Flash Point:204.7°C
PSA：67.51000
Density:1.073g/cm³
LogP:2.85470
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:266.15180918
Heavy Atom Count:19
Complexity:311

Purity/Quality:

97% ^*data from raw suppliers

7-HYDROXYMYOPORONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(C(=O)CC(C)CCC(=O)C1=COC=C1)O

Technology Process of 1-(Furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione

There total 12 articles about 1-(Furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-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: 88.0%

: 77877-56-6,77877-68-0
1-(3-furyl)-4,8-dimethyl-7-hydroxy-1,6-nonadione 1-ethylene ketal

: 52259-61-7
7-Hydroxy-myoporon

Guidance literature:: With acetic acid; In tetrahydrofuran; water; at 21 ℃; for 7h;
DOI:10.1021/ja00401a032

Reference yield:

: 498-60-2
furan-3-carboxaldehyde

: 52259-61-7
7-Hydroxy-myoporon

Guidance literature:: Multi-step reaction with 9 steps

1: 92 percent / toluensulphonic acid / benzene / 4 h / Heating

2: 1.) LDA / 1.) THF, -78 deg C, 10 min, 2.) -78 deg C -> -22 deg C, 2 h

3: 99 percent / pyridine / 40 h / 6 °C

4: chloramine-T / tetrahydrofuran / 1 h

5: 2,6-di-tert-butylpyridine, NaI / acetone / 17.5 h / 54 °C

6: 1.) LDA / 1.) DME, -78 deg C, 12 min, 2.) -78 deg C, 2 h

7: 1.) LDA / 1.) DME, -78 deg C, 10 min, 2.) -78 deg C -> 0 deg C, 25 min

8: 1.) m-CPBA, 2.) pyridine, 3.) Me₂S, 4.) PhSH, NEt₃

9: 88 percent / AcOH / tetrahydrofuran; H₂O / 7 h / 21 °C

With pyridine; 2,6-di-tert-butyl-pyridine; dimethylsulfide; chloroamine-T; toluene-4-sulfonic acid; acetic acid; thiophenol; triethylamine; 3-chloro-benzenecarboperoxoic acid; sodium iodide; lithium diisopropyl amide; In tetrahydrofuran; water; acetone; benzene;
DOI:10.1021/ja00401a032

Reference yield:

: 4412-91-3
furan-3-methanol

: 52259-61-7
7-Hydroxy-myoporon

Guidance literature:: Multi-step reaction with 10 steps

1: 80 percent / CrO₃, pyridine / CH₂Cl₂ / 0.33 h

2: 92 percent / toluensulphonic acid / benzene / 4 h / Heating

3: 1.) LDA / 1.) THF, -78 deg C, 10 min, 2.) -78 deg C -> -22 deg C, 2 h

4: 99 percent / pyridine / 40 h / 6 °C

5: chloramine-T / tetrahydrofuran / 1 h

6: 2,6-di-tert-butylpyridine, NaI / acetone / 17.5 h / 54 °C

7: 1.) LDA / 1.) DME, -78 deg C, 12 min, 2.) -78 deg C, 2 h

8: 1.) LDA / 1.) DME, -78 deg C, 10 min, 2.) -78 deg C -> 0 deg C, 25 min

9: 1.) m-CPBA, 2.) pyridine, 3.) Me₂S, 4.) PhSH, NEt₃

10: 88 percent / AcOH / tetrahydrofuran; H₂O / 7 h / 21 °C

With pyridine; chromium(VI) oxide; 2,6-di-tert-butyl-pyridine; dimethylsulfide; chloroamine-T; toluene-4-sulfonic acid; acetic acid; thiophenol; triethylamine; 3-chloro-benzenecarboperoxoic acid; sodium iodide; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane; water; acetone; benzene;
DOI:10.1021/ja00401a032