Hexapropymate

Base Information

• Chemical Name: Hexapropymate
• CAS No.: 358-52-1
• Molecular Formula: C10H15 N O2
• Molecular Weight: 181.235
• Hs Code.: 2924299090
• European Community (EC) Number: 206-618-9
• NSC Number: 169094
• UNII: 0J9RN2PRJ7
• DSSTox Substance ID: DTXSID00189329
• Nikkaji Number: J5.696K
• Wikipedia: Hexapropymate
• Wikidata: Q1036070
• NCI Thesaurus Code: C83752
• Metabolomics Workbench ID: 154450
• ChEMBL ID: CHEMBL2104292
• Mol file: 358-52-1.mol

Synonyms:hexapropymate

Chemical Property of Hexapropymate

Chemical Property:

• Vapor Pressure: 0.000863mmHg at 25°C
• Melting Point: 99°
• Refractive Index: 1.5464 (estimate)
• Boiling Point: 304.6°Cat760mmHg
• Flash Point: 138.5°C
• PSA: 52.32000
• Density: 1.08g/cm³
• LogP: 2.50820
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 181.110278721
• Heavy Atom Count: 13
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

HEXAPROPYMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCC1(CCCCC1)OC(=O)N

Technology Process of Hexapropymate

There total 1 articles about Hexapropymate 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:

phosgene (75-44-5) + 1-(prop-2-ynyl)cyclohexanol (19135-08-1) → hexapropymate (358-52-1)

Guidance literature:

With toluene; trimethylamine; Behandeln einer Loesung des Reaktionsprodukts in Toluol mit wss. Ammoniak;

DOI:10.1080/08964280109595773

Reference yield:

hexapropymate (358-52-1) → 1-(prop-2-ynyl)cyclohexanol (19135-08-1)

Guidance literature:

With sodium hydroxide; In water; for 0.5h; Heating;

Reference yield:

hexapropymate (358-52-1) → carbamic acid-(1-propyl-cyclohexyl ester) (91016-78-3)

Guidance literature:

With palladium on activated charcoal; Hydrogenation;

DOI:10.1080/08964280109595773

upstream raw materials:

phosgene

1-(prop-2-ynyl)cyclohexanol

Downstream raw materials:

carbamic acid-(1-propyl-cyclohexyl ester)

1-(prop-2-ynyl)cyclohexanol