Cyclopropanol

Base Information

• Chemical Name: Cyclopropanol
• CAS No.: 16545-68-9
• Molecular Formula: C3H6O
• Molecular Weight: 58.08
• Hs Code.: 2906199090
• European Community (EC) Number: 690-605-1
• UNII: TK7N9F9R3Y
• DSSTox Substance ID: DTXSID40167949
• Nikkaji Number: J82.517D
• Wikipedia: Cyclopropanol
• Wikidata: Q3560539
• Mol file: 16545-68-9.mol

Synonyms:cyclopropanol

Chemical Property of Cyclopropanol

Chemical Property:

• Vapor Pressure: 34.4mmHg at 25°C
• Melting Point: 180℃
• Refractive Index: 1.4129 (589.3 nm 20℃)
• Boiling Point: 90.4 °C at 760 mmHg
• PKA: 15.31±0.20(Predicted)
• Flash Point: 22.2 °C
• PSA: 20.23000
• Density: 1.156 g/cm³
• LogP: 0.14110
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 58.041864811
• Heavy Atom Count: 4
• Complexity: 22.5

Purity/Quality:

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

Cyclopropanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1O
• Uses: Cyclopropanol is a basic building block.

Technology Process of Cyclopropanol

There total 14 articles about Cyclopropanol 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: 92.0%

→ cyclopropanol (16545-68-9) + (+,)-cis-2-ethylcyclopropylacetic acid (344329-88-0)

Guidance literature:

Reference yield: 75.0%

Cyclopropanone Ethyl Hemiketal Magnesium Iodide (74592-24-8) → cyclopropanol (16545-68-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; 1.) room temp., 30 min; 2.) reflux, 2 h;

DOI:10.1021/jo01309a012

Reference yield: 60.0%

cyclopropylboronic acid (411235-57-9) → cyclopropanol (16545-68-9)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In water; at 5 ℃; for 1h;

upstream raw materials:

cyclopropyl chloride

epichlorohydrin

cyclopropyl acetate

1-ethoxy-1-cyclopropanol

Downstream raw materials:

Cyclopropyltosylat

cyclopropyl trifluoromethanesulfonate

Cyclopropyl 2,4-dinitrobenzolsulfonat

Malondialdehyde

Refernces

• 1、 DePuy,C.H. et al.. "-". . p. 2813 - 2815. Retrieved 1964.
• 2、 Liu, Ruiting,Tzounopoulos, Thanos,Wipf, Peter. "Synthesis and Optimization of Kv7 (KCNQ) Potassium Channel Agonists: The Role of Fluorines in Potency and Selectivity". supporting information. p. 929 - 935. Retrieved 2019/06/13.
• 3、 -. "BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS". Page/Page column 356. . Retrieved 2018/03/25.