[(1R)-1-phosphonatohexyl]azanium

Base Information

• Chemical Name: [(1R)-1-phosphonatohexyl]azanium
• CAS No.: 63207-60-3
• Molecular Formula: C₆H₁₆NO₃P
• Molecular Weight: 181.172
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID50427344
• Wikidata: Q82240005
• Mol file: 63207-60-3.mol

Synonyms:[(1R)-1-phosphonatohexyl]azanium;[(1R)-1-phosphonatohexyl]ammonium;DTXSID50427344;A834272

Chemical Property of [(1R)-1-phosphonatohexyl]azanium

Chemical Property:

• Vapor Pressure: 2.57E-05mmHg at 25°C
• Melting Point: 270-276 °C(lit.)
• Boiling Point: 333.7°C at 760 mmHg
• PKA: 0.92±0.10(Predicted)
• Flash Point: 155.6°C
• PSA: 93.36000
• Density: 1.201g/cm³
• LogP: 1.72950
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.07895534
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

97% ^*data from raw suppliers

(1-AMINO HEXYL)PHOSPHONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC([NH3+])P(=O)([O-])[O-]
• Isomeric SMILES: CCCCC[C@H]([NH3+])P(=O)([O-])[O-]

Technology Process of [(1R)-1-phosphonatohexyl]azanium

There total 6 articles about [(1R)-1-phosphonatohexyl]azanium 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: 58.0%

dl-(1-aminohexyl)phosphonic acid diethyl ester (77526-43-3) → α-aminohexanephosphonic acid (63207-60-3,109638-78-0,308103-42-6,342385-57-3)

Guidance literature:

With hydrogenchloride; In acetic acid; for 8h; Heating;

DOI:10.1055/s-1980-29311

Reference yield:

hexanoyl-phosphonic acid diethyl ester (6281-07-8) → α-aminohexanephosphonic acid (63207-60-3,109638-78-0,308103-42-6,342385-57-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 84 percent / acetic acid / 1 h / Ambient temperature

2: 70 percent / Zn / acetic acid; trifluoroacetic acid / 2 h / Ambient temperature

3: 58 percent / HCl aq. / acetic acid / 8 h / Heating

With hydrogenchloride; zinc; In acetic acid; trifluoroacetic acid;

DOI:10.1055/s-1980-29311

Reference yield:

[1-(Dimethyl-hydrazono)-hexyl]-phosphonic acid diethyl ester (77526-39-7) → α-aminohexanephosphonic acid (63207-60-3,109638-78-0,308103-42-6,342385-57-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / Zn / acetic acid; trifluoroacetic acid / 2 h / Ambient temperature

2: 58 percent / HCl aq. / acetic acid / 8 h / Heating

With hydrogenchloride; zinc; In acetic acid; trifluoroacetic acid;

DOI:10.1055/s-1980-29311

upstream raw materials:

hexanal

dl-(1-aminohexyl)phosphonic acid diethyl ester

(1-Benzyloxycarbonylamino-hexyl)-phosphonic acid diphenyl ester

hexanoyl-phosphonic acid diethyl ester