3-Heptanamine

Base Information

• Chemical Name: 3-Heptanamine
• CAS No.: 28292-42-4
• Deprecated CAS: 52617-03-5
• Molecular Formula: C7H17 N
• Molecular Weight: 115.219
• Hs Code.: 2921199090
• European Community (EC) Number: 248-940-2
• DSSTox Substance ID: DTXSID00885415
• Nikkaji Number: J49.375I
• Wikidata: Q5651957
• Mol file: 28292-42-4.mol

Synonyms:3-Aminoheptane;3-Heptanamine;28292-42-4;heptan-3-amine;1-ethyl-n-pentylamine;3-HEPTYLAMINE;1-Ethylpentylamine;BRN 1719064;EINECS 248-940-2;4-04-00-00744 (Beilstein Handbook Reference);1-Ethylpentylamine #;Pentylamine, 1-ethyl-;SCHEMBL266196;DTXSID00885415;Aminoheptane, 3-;(3-Heptylamine);LS-74714;FT-0638773;EN300-206287;Q5651957

Chemical Property of 3-Heptanamine

Chemical Property:

• Vapor Pressure: 5.03mmHg at 25°C
• Melting Point: -19°C (estimate)
• Refractive Index: 1.426
• Boiling Point: 144.7°Cat760mmHg
• Flash Point: 40°C
• PSA: 26.02000
• Density: 0.777g/cm³
• LogP: 2.61420
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 115.136099547
• Heavy Atom Count: 8
• Complexity: 43.7

Purity/Quality:

98%Min ^*data from raw suppliers

3-Heptylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 3
• Hazard Codes: 3

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)N
• Uses: 3-Aminoheptane is used in organic syntheses.

Technology Process of 3-Heptanamine

There total 10 articles about 3-Heptanamine 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: 81.0%

C15H21F3N2 → 3-aminoheptane (28292-42-4)

Guidance literature:

With hydrogen iodide; In acetonitrile; at 20 ℃; for 1h;

DOI:10.1021/jacs.0c09403

Reference yield: 66.0%

2-ethyl-hexanamide (4164-92-5) → 3-aminoheptane (28292-42-4)

Guidance literature:

With trichloroisocyanuric acid; sodium hydroxide; In water; acetonitrile; at 0 ℃; for 1.5h; Reagent/catalyst; Reflux;

DOI:10.1016/j.tetlet.2021.153422

Reference yield: 46.0%

heptan-3-one (106-35-4) → 3-aminoheptane (28292-42-4)

Guidance literature:

With ammonium acetate; In methanol; at 25 ℃; for 1.5h; Inert atmosphere;

DOI:10.1021/jacs.8b05061

upstream raw materials:

3-heptanone oxime

ammonium formate

heptan-3-one

n-butyllithium

Downstream raw materials:

N-(1-ethyl-pentyl)-2-methyl-5-nitro-N'-(2,4,6-trimethyl-phenyl)-pyrimidine-4,6-diamine

N-(1-Ethyl-pentyl)-4-methyl-benzenesulfonamide

(RS)-methyl 4-<<5-<(1-ethylpentyl)carbamoyl>-1-methylindol-3-yl>methyl>-3-methoxybenzoate

4-[5-(1-Ethyl-pentylcarbamoyl)-1-methyl-1H-indol-3-ylmethyl]-3-methoxy-benzoic acid