2-Amino-3-hydroxy-15-methyl-hexadecanoic Acid Ethyl Ester

Base Information

• Chemical Name: 2-Amino-3-hydroxy-15-methyl-hexadecanoic Acid Ethyl Ester
• CAS No.: 750560-88-4
• Molecular Formula: C₁₉H₃₉NO₃
• Molecular Weight: 329.524
• DSSTox Substance ID: DTXSID70453620
• Nikkaji Number: J1.428.255F
• Wikidata: Q82274805
• Mol file: 750560-88-4.mol

Synonyms:750560-88-4;2-Amino-3-hydroxy-15-methyl-hexadecanoic Acid Ethyl Ester;ethyl (2R,3R)-2-amino-3-hydroxy-15-methylhexadecanoate;DTXSID70453620;QCSTXHIBWMQIGZ-QZTJIDSGSA-N;(2R,3R)-2-Amino-3-hydroxy-15-methylhexadecanoic acid ethyl ester

Chemical Property of 2-Amino-3-hydroxy-15-methyl-hexadecanoic Acid Ethyl Ester

Chemical Property:

• PSA: 72.55000
• LogP: 4.88510
• Solubility.: Methanol
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 329.29299411
• Heavy Atom Count: 23
• Complexity: 282

Purity/Quality:

2-Amino-3-hydroxy-15-methyl-hexadecanoic Acid Ethyl Ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(CCCCCCCCCCCC(C)C)O)N
• Isomeric SMILES: CCOC(=O)[C@@H]([C@@H](CCCCCCCCCCCC(C)C)O)N
• Uses: Sphinganine derivative.

Technology Process of 2-Amino-3-hydroxy-15-methyl-hexadecanoic Acid Ethyl Ester

There total 1 articles about 2-Amino-3-hydroxy-15-methyl-hexadecanoic Acid Ethyl 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:

N-(+)-(1R,2R,5R)-2-hydroxy-3-pinanylidene-(2R,3R)-2-ethoxycarbonyl-3-hydroxy-14-methylpentadecylamine (212838-95-4) → (2R,3R)-2-Amino-3-hydroxy-15-methyl-hexadecanoic acid ethyl ester (750560-88-4)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; for 68h; Ambient temperature;

DOI:10.1016/S0040-4039(98)01177-0 DOI:10.1016/S0040-4039(98)01178-2

Reference yield:

p-methoxybenzyl-S-(4,6-dimethylpyrimidin-2-yl)-thiocarbonate (41840-29-3) + (2R,3R)-2-Amino-3-hydroxy-15-methyl-hexadecanoic acid ethyl ester (750560-88-4) → ethyl (2R,3R)-(4-methoxybenzyloxycarbonyl)amino-3-hydroxy-15-methylhexadecanoate (326794-27-8)

Guidance literature:

Yield given;

DOI:10.1016/S0040-4039(98)01177-0

upstream raw materials:

N-(+)-(1R,2R,5R)-2-hydroxy-3-pinanylidene-(2R,3R)-2-ethoxycarbonyl-3-hydroxy-14-methylpentadecylamine

Downstream raw materials:

ethyl (2R,3R)-(4-methoxybenzyloxycarbonyl)amino-3-hydroxy-15-methylhexadecanoate