trans-cycloheptane-1,2-diol

Base Information

• Chemical Name: trans-cycloheptane-1,2-diol
• CAS No.: 13553-19-0
• Molecular Formula: C7H14 O2
• Molecular Weight: 130.187
• European Community (EC) Number: 236-937-9
• DSSTox Substance ID: DTXSID20929042
• Nikkaji Number: J1.947.961G
• Mol file: 13553-19-0.mol

Synonyms:1,2-Cycloheptanediol,trans- (8CI); (?à)-trans-Cycloheptane-1,2-diol;trans-(?à)-1,2-Cycloheptanediol;trans-1,2-Cycloheptanediol

Chemical Property of trans-cycloheptane-1,2-diol

Chemical Property:

• Vapor Pressure: 0.0038mmHg at 25°C
• Melting Point: 64-65 °C
• Boiling Point: 248.9°Cat760mmHg
• PKA: 14.51±0.40(Predicted)
• Flash Point: 118.8°C
• PSA: 40.46000
• Density: 1.101g/cm³
• LogP: 0.67230
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 73

Purity/Quality:

99% ^*data from raw suppliers

CYCLOHEPTANE-1,2-DIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(CC1)O)O

Technology Process of trans-cycloheptane-1,2-diol

There total 60 articles about trans-cycloheptane-1,2-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: 90.0%

Cycloheptene (628-92-2,45509-99-7) → cis-Cycloheptan-1,2-diol (13553-19-0,65678-03-7,90970-69-7,108268-27-5,108268-28-6,42114-72-7)

Guidance literature:

With potassium permanganate; dihydrogen peroxide; In water; acetone; at 0 ℃; for 2h; Temperature; Inert atmosphere; Green chemistry;

DOI:10.1039/c5ra01646k

Reference yield: 85.0%

cycloheptane (291-64-5) → cis-Cycloheptan-1,2-diol (13553-19-0,65678-03-7,90970-69-7,108268-27-5,108268-28-6,42114-72-7)

Guidance literature:

cycloheptane; With peracetic acid; sodium azide; 4-tolyl iodide; iodine; acetic acid; at 20 ℃; for 24h;

With lithium hydroxide; In methanol; at 20 ℃;

DOI:10.1039/C6SC03055F

Reference yield: 79.0%

cis-2-((2,2,6,6-tetramethylpiperidin-1-yl)oxy)cycloheptanol → cis-Cycloheptan-1,2-diol (13553-19-0,65678-03-7,90970-69-7,108268-27-5,108268-28-6,42114-72-7)

Guidance literature:

With acetic acid; zinc; In tetrahydrofuran; at 50 ℃; Inert atmosphere;

DOI:10.1002/ejoc.201501174

upstream raw materials:

Cycloheptene

silver(I) acetate

iodine

cycloheptanol

Downstream raw materials:

heptanedioic acid

pimelaldehyde

1-cyclohexene-1-carboxaldehyde

8-oxabicyclo[5.1.0]octane

Refernces

• 1、 Venturello, Carlo,Gambaro, Mario. "A Convenient Catalytic Method for the Dihydroxylation of Alkenes by Hydrogen Peroxide". . p. 295 - 297. Retrieved 1989.
• 2、 Corti, Marco,Chiara, Rossella,Romani, Lidia,Mannucci, Barbara,Malavasi, Lorenzo,Quadrelli, Paolo. "g-C3N4/metal halide perovskite composites as photocatalysts for singlet oxygen generation processes for the preparation of various oxidized synthons". . p. 2292 - 2298. Retrieved 2021/04/12.
• 3、 Cancino, Patricio,Santiba?ez, Luis,Stevens, Christian,Fuentealba, Pablo,Audebrand, Nathalie,Aravena, Daniel,Torres, Julia,Martinez, Sebastian,Kremer, Carlos,Spodine, Evgenia. "Influence of the channel size of isostructural 3d-4f MOFs on the catalytic aerobic oxidation of cycloalkenes". supporting information. p. 11057 - 11064. Retrieved 2019/07/31.