(3aS,7R,7aS)-7,7a-Dihydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxol-4(3aH)-one

Base Information

Chemical Name:(3aS,7R,7aS)-7,7a-Dihydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxol-4(3aH)-one
CAS No.:139013-57-3
Molecular Formula:C₉H₁₂O₄
Molecular Weight:184.192
Hs Code.:
DSSTox Substance ID:DTXSID30452972
Nikkaji Number:J2.237.467B
Wikidata:Q82273904

Synonyms:DTXSID30452972;(3aS,7R,7aS)-7,7a-Dihydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxol-4(3aH)-one;139013-57-3;(3aS)-2,2-Dimethyl-7beta-hydroxy-3abeta,7abeta-dihydro-1,3-benzodioxole-4(7H)-one

Suppliers and Price of (3aS,7R,7aS)-7,7a-Dihydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxol-4(3aH)-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (3aS,7R,7aS)-7,7a-Dihydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxol-4(3aH)-one

Chemical Property:

Vapor Pressure:0mmHg at 25°C
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:184.07355886
Heavy Atom Count:13
Complexity:269

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(OC2C(C=CC(=O)C2O1)O)C
Isomeric SMILES:CC1(O[C@H]2[C@@H](C=CC(=O)[C@H]2O1)O)C

Technology Process of (3aS,7R,7aS)-7,7a-Dihydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxol-4(3aH)-one

There total 5 articles about (3aS,7R,7aS)-7,7a-Dihydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxol-4(3aH)-one 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: 85.0%

: 139013-56-2
(1R,4R,5S,6S)-1-chloro-7,8-dioxa-5,6-di-O-isopropylidenebicyclo<2.2.2>oct-2-ene

: 139013-57-3
(4R,5S,6R)-4-hydroxy-5,6-di-O-isopropylidenecyclohex-2-en-1-one

Guidance literature:: With thiourea; In methanol; for 0.5h; Ambient temperature;

Reference yield: 49.0%

: 148132-86-9
(1R,2S,3S,4R,5S,6S)-1-Chloro-3,4-dihydroxy-5,6-di-O-isopropylidene-1,2-epoxycyclohexane

: 139013-57-3
(4R,5S,6R)-4-hydroxy-5,6-di-O-isopropylidenecyclohex-2-en-1-one

: (2S,3S,4R,5R)-4,5-dihydroxy-2,3-isopropylidenedioxycyclohexanone

Guidance literature:: With samarium diiodide; In tetrahydrofuran; methanol; at -90 ℃; for 1h;

Reference yield:

: 127666-06-2
(3aS,7aS)-4-chloro-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole

: 139013-57-3
(4R,5S,6R)-4-hydroxy-5,6-di-O-isopropylidenecyclohex-2-en-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: KMnO₄, H₃PO₄, tetraethylammonium chloride / CHCl₃ / 0.17 h / 0 - 5 °C

2: 18 percent / SmI₂ / tetrahydrofuran; methanol / 1 h / -90 °C

With potassium permanganate; samarium diiodide; phosphoric acid; tetraethylammonium chloride; In tetrahydrofuran; methanol; chloroform;