19-bromononadecanoic Acid

Base Information

• Chemical Name: 19-bromononadecanoic Acid
• CAS No.: 78774-38-6
• Molecular Formula: C₁₉H₃₇BrO₂
• Molecular Weight: 377.406
• Hs Code.: 2915900090
• European Community (EC) Number: 816-323-2
• DSSTox Substance ID: DTXSID10370822
• Wikidata: Q82157978
• Mol file: 78774-38-6.mol

Synonyms:19-bromononadecanoic Acid;78774-38-6;Nonadecanoic acid,19-bromo-;19-BROMONONADECANOICACID;19-bromo-nonadecanecarboxylic acid;SCHEMBL3485762;DTXSID10370822;FLMPHTLDVWMADF-UHFFFAOYSA-N;MFCD00082606;BS-47396;CS-0158380;FT-0641692

Chemical Property of 19-bromononadecanoic Acid

Chemical Property:

• Vapor Pressure: 8.01E-10mmHg at 25°C
• Melting Point: 78-80 °C
• Refractive Index: 1.479
• Boiling Point: 462.1 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 233.3 °C
• PSA: 37.30000
• Density: 1.078 g/cm³
• LogP: 7.09760
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 376.19769
• Heavy Atom Count: 22
• Complexity: 232

Purity/Quality:

97% ^*data from raw suppliers

19-Bromononadecanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCCCCCBr)CCCCCCCCC(=O)O

Technology Process of 19-bromononadecanoic Acid

There total 6 articles about 19-bromononadecanoic Acid 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: 95.0%

C19H37NO (1353899-25-8) → 19-bromo-nonadecanoic acid (78774-38-6)

Guidance literature:

With sulfuric acid; water; hydrogen bromide; at 110 ℃;

DOI:10.1016/j.tetlet.2011.11.021

Reference yield:

C24H45NO2 (1353899-19-0) → 19-bromo-nonadecanoic acid (78774-38-6)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol; toluene-4-sulfonic acid / dichloromethane

2: sulfuric acid; water; hydrogen bromide / 110 °C

With methanol; sulfuric acid; water; hydrogen bromide; toluene-4-sulfonic acid; In dichloromethane;

DOI:10.1016/j.tetlet.2011.11.021

Reference yield:

1,12-dodecandiol (5675-51-4) → 19-bromo-nonadecanoic acid (78774-38-6)

Guidance literature:

Multi-step reaction with 5 steps

1: hydrogen bromide / water; toluene / Reflux

2: toluene-4-sulfonic acid / dichloromethane

3: [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride; lithium bromide / tetrahydrofuran; 1-methyl-pyrrolidin-2-one / 20 h / 20 °C

4: methanol; toluene-4-sulfonic acid / dichloromethane

5: sulfuric acid; water; hydrogen bromide / 110 °C

With methanol; [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride; sulfuric acid; water; hydrogen bromide; toluene-4-sulfonic acid; lithium bromide; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; dichloromethane; water; toluene; 3: Negishi coupling reaction;

DOI:10.1016/j.tetlet.2011.11.021

upstream raw materials:

19-hydroxynonadecanoic acid

C₂₄H₄₅NO₂

C₁₉H₃₇NO

1,12-dodecandiol

Downstream raw materials:

C₃₁H₄₇O₃P

C₅₀H₉₆O₂

Br^(1-)*C₃₇H₅₂O₂P⁽¹⁺⁾

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