2-Aminoheptanedioic acid

Base Information

• Chemical Name: 2-Aminoheptanedioic acid
• CAS No.: 627-76-9
• Molecular Formula: C7H13NO4
• Molecular Weight: 175.185
• Hs Code.: 2922499990
• European Community (EC) Number: 211-011-7
• NSC Number: 402480
• UNII: V76629V970
• DSSTox Substance ID: DTXSID00978316
• Nikkaji Number: J762.663K
• Wikidata: Q27894420
• ChEMBL ID: CHEMBL111050
• Mol file: 627-76-9.mol

Synonyms:2-aminopimelate;2-aminopimelic acid;alpha-aminopimelic acid

Chemical Property of 2-Aminoheptanedioic acid

Chemical Property:

• Vapor Pressure: 8.95E-07mmHg at 25°C
• Melting Point: 223 °C (dec.)(lit.)
• Refractive Index: 1.51
• Boiling Point: 378.5 °C at 760 mmHg
• PKA: 2.52±0.24(Predicted)
• Flash Point: 182.7 °C
• PSA: 100.62000
• Density: 1.275 g/cm³
• LogP: 0.74360
• Storage Temp.: Store at RT.
• Solubility.: Methanol (Slightly, Heated), Water (Slightly)
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 175.08445790
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

97% ^*data from raw suppliers

D,L-α-AminopimelicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCC(=O)O)CC(C(=O)O)N

Technology Process of 2-Aminoheptanedioic acid

There total 17 articles about 2-Aminoheptanedioic 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-oxoheptane-1,7-dioate (17126-90-8) → alpha-aminopimelic acid (627-76-9,3721-85-5)

Guidance literature:

With L-alanin; pyridoxal 5'-phosphate; E_.coli TOP₁₀/pBAD-Psy_AT; at 37 ℃; for 24h; pH=7; Product distribution / selectivity; Potassium phosphate buffer; Enzymatic reaction;

Reference yield:

ethyl 2-oxocyclohexane carboxylate (1655-07-8) → alpha-aminopimelic acid (627-76-9,3721-85-5)

Guidance literature:

With tris-(2-chloro-ethyl)-amine;

DOI:10.1021/ja01181a098

Reference yield:

7,7-dichloro-hept-6-enoic acid (53279-89-3) → alpha-aminopimelic acid (627-76-9,3721-85-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Cl₂ / H₂SO₄

2: aq. NH₃

With ammonium hydroxide; chlorine; In sulfuric acid;

DOI:10.1016/S0040-4020(01)99005-2

upstream raw materials:

1-acetylamino-5-cyano-pentane-1,1,5-tricarboxylic acid triethyl ester

1,4-dibromo-butane

diethyl 2-phthalimidomalonate

ethyl 2-oxocyclohexane carboxylate

Downstream raw materials:

2,6-diaminocaproic acid

2-(4-amino-benzoylamino)-heptanedioic acid

2-(4-Nitro-benzoylamino)-heptanedioic acid

2-[[(1,1-dimethylethoxy)carbonyl]amino]heptanedioic acid