[(1R,3R,4S,6S)-4-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] acetate

Base Information

• Chemical Name: [(1R,3R,4S,6S)-4-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] acetate
• CAS No.: 10309-63-4
• Molecular Formula: C12H20 O3
• Molecular Weight: 212.289
• Hs Code.: 2915390090
• European Community (EC) Number: 233-683-0,249-017-7
• DSSTox Substance ID: DTXSID40908192
• Nikkaji Number: J236.758K
• Wikidata: Q82877585
• Mol file: 10309-63-4.mol

Synonyms:10309-63-4;[(1R,3R,4S,6S)-4-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] acetate;[1S-(1alpha,3alpha,4alpha,6alpha)]-3-hydroxy-3,7,7-trimethylbicyclo[4.1.0]hept-4-yl acetate;28435-84-9;(1alpha,3beta,4alpha,6alpha)-3-hydroxy-3,7,7-trimethylbicyclo[4.1.0]hept-4-yl acetate;(1S-(1alpha,3alpha,4alpha,6alpha))-3-Hydroxy-3,7,7-trimethylbicyclo(4.1.0)hept-4-yl acetate;DTXSID40908192;Bicyclo(4.1.0)heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel-;Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel-;Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1.alpha.,3.beta.,4.alpha.,6.alpha.)-;4-Hydroxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-yl acetate;(1S,6R)-3,7,7-Trimethylbicyclo[4.1.0]heptane-3alpha,4alpha-diol 4-acetate

Chemical Property of [(1R,3R,4S,6S)-4-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] acetate

Chemical Property:

• Boiling Point: 263.3°Cat760mmHg
• Flash Point: 98.8°C
• PSA: 46.53000
• Density: 1.1g/cm³
• LogP: 1.73510
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 212.14124450
• Heavy Atom Count: 15
• Complexity: 297

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC2C(C2(C)C)CC1(C)O
• Isomeric SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@@H](C2(C)C)C[C@]1(C)O

Technology Process of [(1R,3R,4S,6S)-4-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] acetate

There total 2 articles about [(1R,3R,4S,6S)-4-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] acetate 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:

→ 3β-Hydroxy-4α-acetoxycaran (10309-63-4,10309-65-6,28435-84-9,108102-18-7)

Guidance literature:

1, Solvolyse;

Reference yield:

(-)-4α-Acetoxy-3β-chlorcaran → (-)-Caran-3β,4β-diol-4-acetat (10309-63-4)

Guidance literature:

Multistep reaction; (i) DABCO, (ii) aq. H₂SO₄;

Reference yield:

(-)-Caran-3β,4β-diol-4-acetat (10309-63-4) → cis-3α,4α-caranediol (57457-02-0)

Guidance literature:

With potassium hydroxide;

Downstream raw materials:

cis-3α,4α-caranediol

(-)-(1R,3R,6S)-4-methylene-7,7-dimethylbicyclo[4.1.0]heptan-3-ol

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