(-)-Conduritol C

Base Information

• Chemical Name: (-)-Conduritol C
• CAS No.: 4942-61-4
• Molecular Formula: C₆H₁₀O₄
• Molecular Weight: 146.143
• DSSTox Substance ID: DTXSID301249543
• Nikkaji Number: J499.963K
• ChEMBL ID: CHEMBL75175
• Mol file: 4942-61-4.mol

Synonyms:(-)-Conduritol C;CHEMBL75175;DTXSID301249543;rel-(1R,2R,3S,4R)-5-Cyclohexene-1,2,3,4-tetrol

Chemical Property of (-)-Conduritol C

Chemical Property:

• Vapor Pressure: 0.000409mmHg at 25°C
• Boiling Point: 281.9°Cat760mmHg
• Flash Point: 141.4°C
• PSA: 80.92000
• Density: 1.666g/cm³
• LogP: -2.00020
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 146.05790880
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

97% ^*data from raw suppliers

CONDURITOL (C) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(C(C(C1O)O)O)O
• Isomeric SMILES: C1=C[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)O

Technology Process of (-)-Conduritol C

There total 97 articles about (-)-Conduritol C 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: 100.0%

C12H18O4 (1360452-45-4) → (1R,2S,3S,4S)-5-cyclohexene-1,2,3,4-tetrol (526-87-4,4782-74-5,4782-75-6,4782-76-7,4942-61-4,4942-62-5,6090-98-8,7586-48-3,25348-64-5,80338-90-5,123238-09-5,129829-51-2,133319-93-4,137567-79-4,138258-55-6,139559-64-1,140923-39-3,129829-50-1)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 4h;

DOI:10.1016/j.bmcl.2012.01.007

Reference yield: 98.0%

(3aRS,4SR,7SR,7aSR)-3a,4,7,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxole-4,7-diol → (+/-)-conduritol C (526-87-4,4782-74-5,4782-75-6,4782-76-7,4942-61-4,4942-62-5,6090-98-8,7586-48-3,25348-64-5,80338-90-5,123238-09-5,129829-50-1,129829-51-2,133319-93-4,137567-79-4,138258-55-6,139559-64-1,140923-39-3)

Guidance literature:

With hydrogenchloride; In methanol; at 0 ℃; for 0.166667h;

DOI:10.1021/jo981281k

Reference yield: 94.0%

(+/-)-1,2,3,4-tetra-O-acetylconduritol E (4381-96-8,6216-24-6,25348-63-4,80226-74-0,109526-05-8,123354-99-4,123355-00-0,123355-01-1,129829-60-3,129829-61-4,133319-96-7,143615-78-5,143615-79-6) → conduritol-E (526-87-4,4782-74-5,4782-75-6,4782-76-7,4942-61-4,4942-62-5,6090-98-8,7586-48-3,25348-64-5,80338-90-5,123238-09-5,129829-50-1,129829-51-2,133319-93-4,137567-79-4,138258-55-6,139559-64-1,140923-39-3)

Guidance literature:

With Amberlyst A-26 (OH^(1-)); In tetrahydrofuran; methanol; for 1h; Ambient temperature;

DOI:10.1002/hlca.19920750408

upstream raw materials:

(+)-Tetra-O-acetylconduritol F

(3aS,4S,7R,7aS)-3a,4,7,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxole-4,7-diol dibenzoate

cis-1,2-dihydrocatechol

(1S,2S,5R,6R)-5,6-di(benzyloxy)cyclohex-3-ene-1,2-diol

Downstream raw materials:

(+/-)-cyclohexane-1r,2c,3t,4t-tetraol

(+/-)-1,2-anhydro-allo-inositol

(+/-)-1,2,3,4-tetra-O-acetylconduritol E

(+/-)-1D-cyclohexane-1,2,4/3-tetrol

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