Decyl(2-hydroxyethyl)-carbamic Acid 9H-Fluoren-9-ylmethyl Ester

Base Information

• Chemical Name: Decyl(2-hydroxyethyl)-carbamic Acid 9H-Fluoren-9-ylmethyl Ester
• CAS No.: 239088-19-8
• Molecular Formula: C27H37NO3
• Molecular Weight: 423.596
• DSSTox Substance ID: DTXSID00514172
• Wikidata: Q82374348
• Mol file: 239088-19-8.mol

Synonyms:239088-19-8;Decyl(2-hydroxyethyl)-carbamic Acid 9H-Fluoren-9-ylmethyl Ester;9H-FLUOREN-9-YLMETHYL N-DECYL-N-(2-HYDROXYETHYL)CARBAMATE;(9H-Fluoren-9-yl)methyl decyl(2-hydroxyethyl)carbamate;IJILTKKYTDZGGB-UHFFFAOYSA-N;n-Fmoc-2-decylamino-ethanol;SCHEMBL307102;n-fmoc-2-(n-decylamino)ethanol;DTXSID00514172;AKOS015966301;FT-0665564;(9H-Fluoren-9-yl)methyldecyl(2-hydroxyethyl)carbamate

Chemical Property of Decyl(2-hydroxyethyl)-carbamic Acid 9H-Fluoren-9-ylmethyl Ester

Chemical Property:

• Boiling Point: 568.2±29.0 °C(Predicted)
• PKA: 14.59±0.10(Predicted)
• PSA: 49.77000
• Density: 1.079±0.06 g/cm3(Predicted)
• LogP: 6.37050
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 423.27734404
• Heavy Atom Count: 31
• Complexity: 489

Purity/Quality:

99% ^*data from raw suppliers

Decyl(2-hydroxyethyl)-carbamicAcid9H-Fluoren-9-ylmethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCN(CCO)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• Uses: Decyl(2-hydroxyethyl)-carbamic Acid 9H-Fluoren-9-ylmethyl Ester is used in the preparation of vancomycin-related antibacterial agents.

Technology Process of Decyl(2-hydroxyethyl)-carbamic Acid 9H-Fluoren-9-ylmethyl Ester

There total 4 articles about Decyl(2-hydroxyethyl)-carbamic Acid 9H-Fluoren-9-ylmethyl Ester 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: 81.1%

(fluorenylmethoxy)carbonyl chloride (28920-43-6) + 2-(n-Decylamino)ethanol (15196-28-8) → N-(9-fluorenylmethoxycarbonyl)-N-n-decylaminoethanol (239088-19-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/acs.jmedchem.7b01345

Reference yield:

1-Decanol (112-30-1) → N-(9-fluorenylmethoxycarbonyl)-N-n-decylaminoethanol (239088-19-8)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine / dichloromethane / 24 h / 20 °C

2: ethanol / 5 h / 90 °C

3: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 - 20 °C

With pyridine; N-ethyl-N,N-diisopropylamine; In ethanol; dichloromethane;

DOI:10.1021/acs.jmedchem.7b01345

Reference yield:

methanesulfonic acid decyl ester (41233-29-8) → N-(9-fluorenylmethoxycarbonyl)-N-n-decylaminoethanol (239088-19-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 5 h / 90 °C

2: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 - 20 °C

With N-ethyl-N,N-diisopropylamine; In ethanol; dichloromethane;

DOI:10.1021/acs.jmedchem.7b01345

upstream raw materials:

1-Decanol

(fluorenylmethoxy)carbonyl chloride

2-(n-Decylamino)ethanol

methanesulfonic acid decyl ester

Downstream raw materials:

N-decyl-N-(2-oxoethyl)carbamic acid 9H-fluoren-9-ylmethyl ester

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