2-Heptylundecanoic Acid

Base Information

• Chemical Name: 2-Heptylundecanoic Acid
• CAS No.: 22890-21-7
• Molecular Formula: C₁₈H₃₆O₂
• Molecular Weight: 284.483
• Hs Code.: 2915701000
• UNII: E2U1CDE0CQ
• DSSTox Substance ID: DTXSID901014388
• Nikkaji Number: J208.631J
• Wikidata: Q27276793
• Mol file: 22890-21-7.mol

Synonyms:2-Heptylundecanoic Acid;22890-21-7;Undecanoic acid, 2-heptyl-;Isocarb 18;Diadol 18Ga;HA 18Ga;E2U1CDE0CQ;UNII-E2U1CDE0CQ;alpha-Heptylundecanoic acid;Heptadecane-8-carboxylic Acid;2-HeptylundecanoicAcid;SCHEMBL413356;DTXSID901014388;.ALPHA.-HEPTYLUNDECANOIC ACID;AS-75837;I0281;J-014888;Q27276793

Chemical Property of 2-Heptylundecanoic Acid

Chemical Property:

• Boiling Point: 183°C 5mm
• PKA: 4.84±0.40(Predicted)
• Flash Point: 165°C
• PSA: 37.30000
• Density: 0,88 g/cm3
• LogP: 6.18840
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 284.271530387
• Heavy Atom Count: 20
• Complexity: 214

Purity/Quality:

99.9% ^*data from raw suppliers

Undecanoicacid,2-heptyl- 95 ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(CCCCCCC)C(=O)O

Technology Process of 2-Heptylundecanoic Acid

There total 2 articles about 2-Heptylundecanoic 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:

→ 2-heptylundecanoic acid (22890-21-7)

Guidance literature:

Erhitzen ueber den Schmelzpunkt;

Reference yield:

→ 2-heptylundecanoic acid (22890-21-7)

Guidance literature:

Nonen-1, Nonansaeure;

DOI:10.1007/BF02541137

Reference yield:

2-heptylundecanoic acid (22890-21-7) → C26H43NO3

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 3 h / 0 - 20 °C

2: triethylamine; dmap / dichloromethane / 0 - 40 °C / Inert atmosphere; Schlenk technique

With dmap; oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1021/ja509006x

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