N-(tetradecanoyl)-sphinganine

Base Information

• Chemical Name: N-(tetradecanoyl)-sphinganine
• CAS No.: 61389-70-6
• Molecular Formula: C₃₂H₆₅NO₃
• Molecular Weight: 511.873
• DSSTox Substance ID: DTXSID80437370
• Nikkaji Number: J1.552.379D
• Wikidata: Q27135603
• Metabolomics Workbench ID: 30662
• Mol file: 61389-70-6.mol

Synonyms:C14 Dihydroceramide;N-(tetradecanoyl)-sphinganine;61389-70-6;C14DH Cer;N-tetradecanoylsphinganine;Cer(d18:0/14:0);N-(myristoyl)-dihydroceramide;N-(tetradecanoyl)-dihydroceramide;N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetradecanamide;N-Myristoylsphinganine;C14-dihydro-Ceramide;N-myristoyldihydroceramide;N-(myristoyl)-sphinganine;N-myristoyldihydrosphingosine;N-tetradecanoyldihydroceramide;SCHEMBL1480085;N-tetradecanoyldihydrosphingosine;CHEBI:67045;DTXSID80437370;LMSP02020016;Tetradecanamide,N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-;AKOS030240762;DHC-A 18:0/14:0;BP-28814;Q27135603;C14 dihydroceramide (d18:0/14:0), N-myristoyl-D-erythro-sphinganine, powder

Chemical Property of N-(tetradecanoyl)-sphinganine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 96-100°C
• Refractive Index: 1.474
• Boiling Point: 656.137 °C at 760 mmHg
• PKA: 14.30±0.20(Predicted)
• Flash Point: 350.619 °C
• PSA: 69.56000
• Density: 0.917 g/cm³
• LogP: 9.39770
• Storage Temp.: -20°C Freezer
• XLogP3: 12.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 29
• Exact Mass: 511.49644494
• Heavy Atom Count: 36
• Complexity: 443

Purity/Quality:

99% ^*data from raw suppliers

C14Dihydroceramide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCCCCCCCCCC)O
• Isomeric SMILES: CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC)O
• Uses: C14 Dihydroceramide (cas# 61389-70-6) is a compound useful in organic synthesis.

Technology Process of N-(tetradecanoyl)-sphinganine

There total 1 articles about N-(tetradecanoyl)-sphinganine 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: 86.0%

N-succinimidyl myristate (69888-86-4) + (2S,3R)-2-amino-1,3-octadecanediol (764-22-7,2304-75-8,3102-56-5,3102-60-1,6036-76-6,6036-86-8,13552-09-5,15639-50-6,73938-69-9) → (2S,3R)-2-tetradecanoylaminooctadecane-1,3-diol (75172-73-5,61389-70-6)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 15h;

DOI:10.1021/ja015715w

Reference yield: 66.0%

(2S,3R)-2-tetradecanoylaminooctadecane-1,3-diol (75172-73-5,61389-70-6) + benzoyl chloride (98-88-4) → Benzoic acid (2S,3R)-3-hydroxy-2-tetradecanoylamino-octadecyl ester (344426-96-6)

Guidance literature:

With pyridine; dmap; at 20 ℃; for 15h;

DOI:10.1021/ja015715w

Reference yield:

(2S,3R)-2-tetradecanoylaminooctadecane-1,3-diol (75172-73-5,61389-70-6) → N-myristoyl-1-O-benzoyl-3-triisopropylsilyloxy-D-erythro-sphinganine (344426-93-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent / DMAP; pyridine / 15 h / 20 °C

2: 77 percent / 2,6-lutidine / tetrahydrofuran / 2.5 h / 0 - 20 °C

With pyridine; 2,6-dimethylpyridine; dmap; In tetrahydrofuran;

DOI:10.1021/ja015715w

upstream raw materials:

N-succinimidyl myristate

(2S,3R)-2-amino-1,3-octadecanediol

Downstream raw materials:

Acetic acid (2S,3R)-2-tetradecanoylamino-3-((2S,3R,4S,5S,6R)-3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-octadecyl ester

Acetic acid (R)-1-[(S)-1-tetradecanoylamino-2-((2S,3R,4S,5S,6R)-3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-ethyl]-hexadecyl ester

Benzoic acid (2S,3R)-3-hydroxy-2-tetradecanoylamino-octadecyl ester

N-myristoyl-1-O-benzoyl-3-triisopropylsilyloxy-D-erythro-sphinganine

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