4-(6'-Hydroxy-1',2',3',4',4a',9a'-hexahydrospiro[cyclohexane-1,9'-xanthen]-4a'-yl)-1,3-benzenediol

Base Information

• Chemical Name: 4-(6'-Hydroxy-1',2',3',4',4a',9a'-hexahydrospiro[cyclohexane-1,9'-xanthen]-4a'-yl)-1,3-benzenediol
• CAS No.: 138446-23-8
• Molecular Formula: C₂₄H₂₈O₄
• Molecular Weight: 380.484
• European Community (EC) Number: 682-822-5
• Nikkaji Number: J1.633.151A
• Mol file: 138446-23-8.mol

Synonyms:138446-23-8;4-(6'-Hydroxy-1',2',3',4',4a',9a'-hexahydrospiro[cyclohexane-1,9'-xanthen]-4a'-yl)-1,3-benzenediol;Oprea1_200380;SCHEMBL2602829;AC8699;MFCD00617907;AKOS000663670;AKOS024303306;4-(6-hydroxyspiro[2,3,4,9a-tetrahydro-1H-xanthene-9,1'-cyclohexane]-4a-yl)benzene-1,3-diol;SY250515;4-[6-Hydroxy-1,2,3,4,4a,9a-hexahydrospiro[9H-xanthene-9,1'-cyclohexane]-4a-yl]resorcinol;4-(6 inverted exclamation mark -Hydroxy-1 inverted exclamation mark ,2 inverted exclamation mark ,3 inverted exclamation mark ,4 inverted exclamation mark ,4a inverted exclamation mark ,9a inverted exclamation mark -hexahydrospiro[cyclohexane-1,9 inverted exclamation mark -xanthen]-4a inverted exclamation mark -yl)-1,3-benzenediol;4-(6?-HYDROXY-1?,2?,3?,4?,4A?,9A?-HEXAHYDROSPIRO[CYCLOHEXANE-1,9?-XANTHEN]-4A?-YL)-1,3-BENZENEDIOL

Chemical Property of 4-(6'-Hydroxy-1',2',3',4',4a',9a'-hexahydrospiro[cyclohexane-1,9'-xanthen]-4a'-yl)-1,3-benzenediol

Chemical Property:

• XLogP3: 6.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 380.19875937
• Heavy Atom Count: 28
• Complexity: 559

Purity/Quality:

Above 99% , ^*data from raw suppliers

4-(6-Hydroxyspiro[2,3,4,9a-tetrahydro-1H-xanthene-9,1'-cyclohexane]-4a-yl)benzene-1,3-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC2(CC1)C3CCCCC3(OC4=C2C=CC(=C4)O)C5=C(C=C(C=C5)O)O

Technology Process of 4-(6'-Hydroxy-1',2',3',4',4a',9a'-hexahydrospiro[cyclohexane-1,9'-xanthen]-4a'-yl)-1,3-benzenediol

There total 2 articles about 4-(6'-Hydroxy-1',2',3',4',4a',9a'-hexahydrospiro[cyclohexane-1,9'-xanthen]-4a'-yl)-1,3-benzenediol 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: 55.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + recorcinol (108-46-3) → 4-[1',2',3',4',4'a,9'a-hexahydro-6'-hydroxyspiro(cyclohexane-1,9'-xanthene)-4'a-yl]resorcinol (138446-23-8)

Guidance literature:

With toluene-4-sulfonic acid; In chloroform; Heating;

DOI:10.1070/MC2003v013n04ABEH001687

Reference yield:

→ 4-[1',2',3',4',4'a,9'a-hexahydro-6'-hydroxyspiro(cyclohexane-1,9'-xanthene)-4'a-yl]resorcinol (138446-23-8)

Guidance literature:

Reference yield: 91.0%

acetic anhydride (108-24-7) + 4-[1',2',3',4',4'a,9'a-hexahydro-6'-hydroxyspiro(cyclohexane-1,9'-xanthene)-4'a-yl]resorcinol (138446-23-8) → C30H34O7

Guidance literature:

With pyridine; at 40 - 50 ℃;

DOI:10.1021/jo961647y

upstream raw materials:

cyclohexanone

recorcinol