Isogmelinol

Base Information

Chemical Name:Isogmelinol
CAS No.:597-01-3
Molecular Formula:C₂₂H₂₆O₇
Molecular Weight:402.444
Hs Code.:
UNII:4GD96DA7PV
Nikkaji Number:J444.330F
Wikidata:Q27259561

Synonyms:Isogmelinol;4GD96DA7PV;NSC-36565;UNII-4GD96DA7PV;597-01-3;1H,3H-Furo(3,4-C)furan-3a(4H)-ol, 1,4-bis(3,4-dimethoxyphenyl)dihydro-, (1alpha,3aalpha,4alpha,6aalpha)-;(+)-Isognerinol;Q27259561;1H,3H-FURO(3,4-C)FURAN-3A(4H)-OL, 1,4-BIS(3,4-DIMETHOXYPHENYL)DIHYDRO-, (1.ALPHA.,3A.ALPHA.,4.ALPHA.,6A.ALPHA.)-

Suppliers and Price of Isogmelinol

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 Isogmelinol

Chemical Property:

Vapor Pressure:2.17E-13mmHg at 25°C
Boiling Point:560.3°Cat760mmHg
Flash Point:292.7°C
Density:1.253g/cm³
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:402.16785316
Heavy Atom Count:29
Complexity:545

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C2C3COC(C3(CO2)O)C4=CC(=C(C=C4)OC)OC)OC
Isomeric SMILES:COC1=C(C=C(C=C1)[C@@H]2[C@H]3CO[C@@H]([C@]3(CO2)O)C4=CC(=C(C=C4)OC)OC)OC

Technology Process of Isogmelinol

There total 15 articles about Isogmelinol 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: 72.0%

: 144918-25-2
(4S,5R)-4-(3,4-Dimethoxy-benzyloxymethyl)-5-(3,4-dimethoxy-phenyl)-dihydro-furan-3-one

: 469-28-3,597-01-3,17669-45-3,24192-66-3,81495-56-9,96894-16-5,144940-45-4
(+/-)-Isogmelinol

Guidance literature:: In benzene; for 0.75h; Irradiation;
DOI:10.1016/S0040-4039(00)61118-8 DOI:10.1016/S0040-4020(01)81924-4

Reference yield:

: 144918-23-0
2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-4-methylenetetrahydrofuran

: 469-28-3,597-01-3,17669-45-3,24192-66-3,81495-56-9,96894-16-5,144940-45-4
(+/-)-Isogmelinol

Guidance literature:: Multi-step reaction with 3 steps

1: 76 percent / NaH / 1,2-dimethoxy-ethane / 20 h / Heating

2: 90 percent / NaIO₄, OsO₄ / diethyl ether; H₂O / 24 h / Ambient temperature

3: 72 percent / benzene / 0.75 h / Irradiation

With sodium periodate; osmium(VIII) oxide; sodium hydride; In 1,2-dimethoxyethane; diethyl ether; water; benzene;
DOI:10.1016/S0040-4020(01)81924-4

Reference yield:

: 144918-21-8
ethyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-(prop-2-ynyloxy)propanoate

: 469-28-3,597-01-3,17669-45-3,24192-66-3,81495-56-9,96894-16-5,144940-45-4
(+/-)-Isogmelinol

Guidance literature:: Multi-step reaction with 5 steps

1: 82 percent / n-Bu₃SnH, AIBN / benzene / 4 h / Heating

2: 97 percent / LiAlH₄ / diethyl ether / 3 h / Heating

3: 76 percent / NaH / 1,2-dimethoxy-ethane / 20 h / Heating

4: 90 percent / NaIO₄, OsO₄ / diethyl ether; H₂O / 24 h / Ambient temperature

5: 72 percent / benzene / 0.75 h / Irradiation

With sodium periodate; osmium(VIII) oxide; lithium aluminium tetrahydride; 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; sodium hydride; In 1,2-dimethoxyethane; diethyl ether; water; benzene;
DOI:10.1016/S0040-4020(01)81924-4