2-[3-(2-Hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol

Base Information

• Chemical Name: 2-[3-(2-Hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol
• CAS No.: 64431-96-5
• Molecular Formula: C11H26N2O6
• Molecular Weight: 282.337
• Hs Code.: 29221980
• European Community (EC) Number: 264-899-3
• NSC Number: 610927
• UNII: N5YD0CS4DO
• DSSTox Substance ID: DTXSID30894116
• Nikkaji Number: J208.082F
• Wikipedia: Bis-tris_propane
• Wikidata: Q4917173
• Metabolomics Workbench ID: 147245
• ChEMBL ID: CHEMBL63859
• Mol file: 64431-96-5.mol

Synonyms:1,3-bis(tris(hydroxymethyl)methylamino)propane;Bis-tris propane;bis-Tris-propane

Chemical Property of 2-[3-(2-Hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol

Chemical Property:

• Appearance/Colour: White crystal powder
• Vapor Pressure: 1.57E-15mmHg at 25°C
• Melting Point: 164-165 °C(lit.)
• Refractive Index: 1.565
• Boiling Point: 573.3 °C at 760 mmHg
• PKA: (1) 6.8, (2) 9.0(at 25℃)
• Flash Point: 224.5 °C
• PSA: 145.44000
• Density: 1.326 g/cm³
• LogP: -3.23110
• Storage Temp.: Store at RT.
• Solubility.: H2O: 1 M at 20 °C, clear, colorless
• Water Solubility.: Soluble in water.
• XLogP3: -4.6
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 282.17908655
• Heavy Atom Count: 19
• Complexity: 183

Purity/Quality:

99.0%-101.0% ^*data from raw suppliers

1,3-Bis[tris(hydroxymethyl)methylamino]propane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-24/25-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amino Alcohols, Other
• Canonical SMILES: C(CNC(CO)(CO)CO)CNC(CO)(CO)CO
• Description: BIS-TRIS Propane is Good′s buffer. It acts as ligand and forms series of dinuclear hydroxo complexes with Lanthanides(III) in the pH range 7-9. It is useful for diagnostic assay manufacturing industry.
• Uses: BIS-TRIS Propane may be used in the following studies:As buffer to investigate the influence of anions with varying nucleophilic properties on the autoxidation of oxymyoglobin (MbO2).Purification of glucose-binding protein from membranes of Sulfolobus solfataricus.As buffer during GeO2 mineralisation. BIS-Tris Propane is a buffer that is useful in the pH 6.3 - 9.5 range. This wide buffering range is due to its two pKa values, 6.8 (pKa1) and 9.0 (pKa2), being so close. Because of the wide buffering range, particularly down to pH 6 - 7, this buffer has been used to enhance the stability or activity of restriction enzymes, compared to Tris buffer (which is a poor buffer below pH 7.5 and has a comparatively large change in pKa with temperature).

Technology Process of 2-[3-(2-Hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol

There total 2 articles about 2-[3-(2-Hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol 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:

Hbis-tris-propane (411229-65-7) + 5,7,7,12,14,14-(CH3)6-1,4,8,11-tetraazacyclotetradeca-4,11-dienecobalt(I)(1+) + water (7732-18-5) → trans-Co(III)(rac-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)(H)(H2O)(2+) + 1,3-bis[tris(hydroxymethyl)methylamino]-propane (64431-96-5)

Guidance literature:

In water; Kinetics;

DOI:10.1021/ic011109q

Reference yield:

→ 1,3-bis[tris(hydroxymethyl)methylamino]-propane (64431-96-5)

Guidance literature:

/BRN= 1782677/;

Reference yield: 60.0%

cobalt(II) nitrate hexahydrate + 1,3-bis[tris(hydroxymethyl)methylamino]-propane (64431-96-5) + isophthalic acid (121-91-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4Co(2+)*3Co(3+)*3C11H22N2O6(4-)*3CHO2(1-)*H2O*C8H4O4(2-)*C3H7NO

Guidance literature:

In methanol; at 120 ℃; for 72h; Autoclave;

DOI:10.1002/chem.201705023

upstream raw materials:

Hbis-tris-propane

water