2-Hydroxyheptanoic acid

Base Information

• Chemical Name: 2-Hydroxyheptanoic acid
• CAS No.: 636-69-1
• Molecular Formula: C₇H₁₄O₃
• Molecular Weight: 146.186
• European Community (EC) Number: 843-928-9
• DSSTox Substance ID: DTXSID30979816
• Nikkaji Number: J94.852G
• Wikidata: Q27144085
• Metabolomics Workbench ID: 1293
• Mol file: 636-69-1.mol

Synonyms:2-Hydroxyheptanoic acid;636-69-1;2-hydroxy enanthoic acid;2-hydroxy-heptanoic acid;Heptanoic acid, 2-hydroxy-;2-Hydroxyheptanoicacid;SCHEMBL44151;CHEBI:73752;DTXSID30979816;LMFA01050016;MFCD01111423;AKOS004906205;CS-0242197;EN300-245923;Q27144085;Z788000584

Chemical Property of 2-Hydroxyheptanoic acid

Chemical Property:

• Boiling Point: 274.4°Cat760mmHg
• Flash Point: 134°C
• PSA: 57.53000
• Density: 1.07g/cm³
• LogP: 1.01220
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 146.094294304
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

2-HYDROXYHEPTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C(=O)O)O

Technology Process of 2-Hydroxyheptanoic acid

There total 3 articles about 2-Hydroxyheptanoic 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: 89.0%

oenanthic acid (111-14-8) → rac-2-hydroxyhexanoic acid (636-36-2,6064-63-7) + 2-hydroxyheptanoic acid (52358-05-1,52437-20-4,52437-21-5,636-69-1)

Guidance literature:

With P_450CLA; dihydrogen peroxide; In aq. phosphate buffer; ethanol; at 20 ℃; for 12.5h; pH=7.25; regioselective reaction; Enzymatic reaction;

DOI:10.1002/adsc.201801377

Reference yield:

2-diethylamino-heptanal (41711-96-0) → 2-hydroxyheptanoic acid (52358-05-1,52437-20-4,52437-21-5,636-69-1) + hexanoic acid (142-62-1)

Guidance literature:

With sodium carbonate; silver nitrate; bei der Oxydation;

Reference yield:

2-diethylamino-heptanal (41711-96-0) + silver nitrate → 2-hydroxyheptanoic acid (52358-05-1,52437-20-4,52437-21-5,636-69-1) + hexanoic acid (142-62-1)

Guidance literature:

upstream raw materials:

2-diethylamino-heptanal

oenanthic acid

Downstream raw materials:

methyl rac-2-hydroxyheptanoate

(R)-(-)-2-Hydroxyheptansaeure

2-oxoheptanoic acid

carbon dioxide

Refernces

• 1、 Dennig, Alexander,Blaschke, Fabio,Gandomkar, Somayyeh,Tassano, Erika,Nidetzky, Bernd. "Preparative Asymmetric Synthesis of Canonical and Non-canonical a-amino Acids through Formal Enantioselective Biocatalytic Amination of Carboxylic Acids". supporting information. p. 1348 - 1358. Retrieved 2019/10/28.