3-Aminoheptanoic acid

Base Information

• Chemical Name: 3-Aminoheptanoic acid
• CAS No.: 104883-48-9
• Molecular Formula: C7H15NO2
• Molecular Weight: 145.202
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID00395342
• Nikkaji Number: J2.761.480I
• Mol file: 104883-48-9.mol

Synonyms:3-aminoheptanoic acid;104883-48-9;3-Amino-heptanoic acid;Heptanoic acid, 3-amino-;(3R)-3-AMINOHEPTANOICACID;MFCD01081996;3-AminoheptanoicAcid;161596-37-8;2-aminohexane car-boxylic acid;SCHEMBL5496400;DTXSID00395342;3-Aminoheptanoic acid, AldrichCPR;STK504556;AKOS005171762;AB08231;TS-7194;SY013375;CS-0447568;FT-0679335;EN300-297715;A896145

Chemical Property of 3-Aminoheptanoic acid

Chemical Property:

• Vapor Pressure: 0.00461mmHg at 25°C
• Melting Point: 215-218 °C (decomp)(Solv: acetone (67-64-1))
• Boiling Point: 256.8oC at 760 mmHg
• PKA: 3.80±0.10(Predicted)
• Flash Point: 109.1oC
• PSA: 63.32000
• Density: 1.017g/cm3
• LogP: 1.67890
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 145.110278721
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

98%Min ^*data from raw suppliers

3-Aminoheptanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC(=O)O)N
• Uses: 3-Aminoheptanoic Acid is a useful research reagent for organic synthesis and other chemical processes.

Technology Process of 3-Aminoheptanoic acid

There total 3 articles about 3-Aminoheptanoic 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: 51.0%

pentanal (110-62-3) + malonic acid (141-82-2) → E-hept-2-enoic acid (10352-88-2) + 3-aminoheptanoic acid (104883-48-9,158849-22-0)

Guidance literature:

With ammonium acetate; In butan-1-ol; Heating;

DOI:10.1007/s11176-005-0377-9

Reference yield:

ethyl (+/-)-3-amino-3-(2-thienyl)propanoate (93447-77-9) → 3-aminoheptanoic acid (104883-48-9,158849-22-0)

Guidance literature:

With hydrogen; nickel; In ethanol; water; at 70 ℃; for 96h; under 30400 Torr;

DOI:10.1016/S0957-4166(02)00637-7

Reference yield:

3-amino-3-(thiophen-2-yl)propanoic acid (18389-46-3,3270-89-1) → 3-aminoheptanoic acid (104883-48-9,158849-22-0)

Guidance literature:

With ammonium hydroxide; nickel;

upstream raw materials:

3-amino-3-(thiophen-2-yl)propanoic acid

ethyl (+/-)-3-amino-3-(2-thienyl)propanoate

pentanal

malonic acid

Downstream raw materials:

3-(toluene-4-sulfonylamino)-heptanoic acid

Refernces

• 1、 Solymar, Magdolna,Fueloep, Ferenc,Kanerva, Liisa T.. "Candida antarctica lipase A - A powerful catalyst for the resolution of heteroaromatic β-amino esters". . p. 2383 - 2388. Retrieved 2007/10/03.