(1alpha,3alpha,4alpha,6alpha)-3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol

Base Information

• Chemical Name: (1alpha,3alpha,4alpha,6alpha)-3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol
• CAS No.: 57457-02-0
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• European Community (EC) Number: 243-415-4,260-745-4
• DSSTox Substance ID: DTXSID901187876
• Nikkaji Number: J276.346J
• Mol file: 57457-02-0.mol

Synonyms:(1S,3S,4R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol;57457-02-0;(1alpha,3alpha,4alpha,6alpha)-3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol;19898-59-0;SCHEMBL8608125;DTXSID901187876;NS00082943;NS00086063

Chemical Property of (1alpha,3alpha,4alpha,6alpha)-3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol

Chemical Property:

• Boiling Point: 272.8°Cat760mmHg
• Flash Point: 126.6°C
• PSA: 40.46000
• Density: 1.091g/cm³
• LogP: 1.16430
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2C1CC(C(C2)O)(C)O)C
• Isomeric SMILES: C[C@@]1(C[C@H]2[C@H](C2(C)C)C[C@H]1O)O

Technology Process of (1alpha,3alpha,4alpha,6alpha)-3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol

There total 30 articles about (1alpha,3alpha,4alpha,6alpha)-3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol 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: 99.0%

(+)-Δ3-carene (498-15-7,19079-29-9) → cis-3α,4α-caranediol (57457-02-0)

Guidance literature:

With osmium(VIII) oxide; trimethylamine-N-oxide; In water; acetone; for 16h; stereospecific reaction; Reflux;

DOI:10.1021/jo1022537

Reference yield: 60.0%

(+)-Δ3-carene (498-15-7,19079-29-9) → 1S,3R,4S,6R-(+)-3β,4β-caranediol (10395-46-7,19898-58-9,19898-59-0,19898-60-3,19898-61-4,22556-08-7,38741-11-6,57457-02-0,57526-47-3,81371-67-7)

Guidance literature:

With iodine; silver(I) acetate; In water; acetic acid; for 4h; Heating;

Reference yield: 51.0%

2-methylpropenal (78-85-3,25120-30-3) + 3-carene epoxide (936-91-4) → cis-3α,4α-caranediol (57457-02-0) + 3,6,6-trimethylbicyclo<3.1.0>hexane-3-carboxaldehyde (13124-67-9) + (1S,3S,5R,7R)-9-Isopropenyl-1,4,4-trimethyl-8,10-dioxatricyclo[5.3.0.03,5]decane

Guidance literature:

With askanite-bentonite clay; In dichloromethane; at 0 ℃; for 0.75h;

upstream raw materials:

4,5-Epoxycaran-trans-3-ol-acetat

(+)-Δ³-carene

C₁₂H₁₈O₃

(-)-Caran-3β,4β-diol-4-acetat

Downstream raw materials:

(1R,4S,6S)-4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one

C₁₀H₁₅ClO₂

(3¹R,3³S)-3²,3²-dimethyl-3(1,3)cyclopropyla-5-oxohexanoic acid

trans-3,4-caranediol

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 57457-02-0 [1S-(1alpha,3alpha,4alpha,6alpha)]-3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol

Send

Send

Metric Ton KG G Pound L ML

Send

Send