[(2S)-2-hydroxypropyl]ammonium

Base Information

• Chemical Name: [(2S)-2-hydroxypropyl]ammonium
• CAS No.: 78-96-6
• Molecular Formula: C₃H₉NO
• Molecular Weight: 75.1106
• Hs Code.: 2922.19
• Metabolomics Workbench ID: 147152
• Mol file: 78-96-6.mol

Synonyms:[(2S)-2-hydroxypropyl]azanium;[(2S)-2-hydroxypropyl]ammonium;F-LOOP OF VITAMIN B12;[(2S)-2-oxidanylpropyl]azanium;DB02576;A839540

Chemical Property of [(2S)-2-hydroxypropyl]ammonium

Chemical Property:

• Appearance/Colour: colorless or light yellow liquid
• Vapor Pressure: <1 mm Hg ( 20 °C)
• Melting Point: -2 °C
• Refractive Index: 1.4483
• Boiling Point: 159.9 °C at 760 mmHg
• PKA: 12.92±0.35(Predicted)
• Flash Point: 73.9 °C
• PSA: 46.25000
• Density: 0.943 g/cm³
• LogP: 0.02620
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Water Solubility.: freely soluble
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 76.076238942
• Heavy Atom Count: 5
• Complexity: 22.9

Purity/Quality:

99% ^*data from raw suppliers

1-Amino-2-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 34-21/22
• Safety Statements: 23-26-36-45-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C[NH3+])O
• Isomeric SMILES: C[C@@H](C[NH3+])O
• Uses: Synthetic and semisynthetic machine lubricating/cutting oil formulations have included isopropanolamine, diisopropanolamine, and triethanolamine, together with nitrites; consequently the EPA has promulgated standards regarding the composition of cutting fluids. No additional uses were found in the literature. Amino-2-propanol is used to study the effect of temperature and water content on the molecular structure and hydrogen bonding of amino-2-propanol, which has been examined by Fourier transform near-infrared (FT-NIR) spectroscopy. Also used in used in the synthesis of protein kinase CK2 inhibitors used in the treatment of neoplasia and other infective diseases. Amino-2-propanol can be used as a reactant to prepare: 5-methyl-2-oxazolidinone by oxidative carbonylation reaction using Pd(OAc)2/I2 catalyst. Bio-based polyurethanes by reacting with epoxidized soybean oil via ring-opening and amidation reaction. It can also be used as a solvent as well as a template to synthesize layered aluminophosphate containing a racemic mixture of isopropanolamine.

Technology Process of [(2S)-2-hydroxypropyl]ammonium

There total 52 articles about [(2S)-2-hydroxypropyl]ammonium 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: 99.7%

2-hydroxypropanal (3913-65-3) → 3-amino-2-propanol (78-96-6,1674-56-2)

Guidance literature:

With ammonia; hydrogen; 5% CuO-5% PdO-0.5% Bi2O3-0.5% In2O3/modified γ-Al2O3 catalyst; 5% NiO-2% V2O5-0.4% Y2O3/modified γ-Al2O3 catalyst; at 200 ℃; under 37503.8 Torr;

Reference yield: 99.0%

5-methyl-1,3-oxazolidin-2-one (1072-70-4) → 3-amino-2-propanol (78-96-6,1674-56-2)

Guidance literature:

With N-(2-Aminoethyl)aminomethyl polystyrene; In tetrahydrofuran; at 60 ℃;

DOI:10.1016/S0040-4039(01)02218-3

Reference yield: 95.0%

benzylamine (100-46-9) + (+/-)-2-(1,3,5-dithiazinan-5-yl)-1-methylethanol (633336-01-3) → 1,3,5-Tribenzyl-1,3,5-triazacyclohexane (2547-66-2) + 3-amino-2-propanol (78-96-6,1674-56-2)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.3987/com-04-10151

upstream raw materials:

DL-threonine

2-hydroxy-1-nitropropane

1-azidopropan-2-one

2-benzoyloxy-1-butyronitrile

Downstream raw materials:

5-Methyl-2-phenyl-2-oxazoline

(S)-1-amino-2-propanol

(2R)-hydroxypropylamine

2,5-dimethyl-piperazine