1-Amino-3-phenoxypropan-2-ol hydrochloride

Base Information

• Chemical Name: 1-Amino-3-phenoxypropan-2-ol hydrochloride
• CAS No.: 4287-20-1
• Molecular Formula: C₉H₁₃NO₂*ClH
• Molecular Weight: 203.669
• Hs Code.: 29214990
• DSSTox Substance ID: DTXSID10369357
• Mol file: 4287-20-1.mol

Synonyms:4287-20-1;1-amino-3-phenoxypropan-2-ol hydrochloride;3-Amino-1-Phenoxy-2-Propanol Hydrochloride;1-amino-3-phenoxypropan-2-ol;hydrochloride;1-Amino-3-phenoxy-2-propanol Hydrochloride;3-AMINO-1-PHENOXY-2-PROPANOL HYDROCHLORIDE, 98;1-AMINO-3-PHENOXY-2-PROPANOL HCL;SCHEMBL4925995;DTXSID10369357;DLPNVEWPVBNLHE-UHFFFAOYSA-N;MFCD00800507;AKOS015888362;SB77718;AS-82771;BP-12347;1-amino-3-phenoxypropan-2-olhydrochloride;CS-0452435;rac-1-amino-3-phenoxypropan-2-ol hydrochloride;3-amino-1-phenoxy-2-propanol hydrochloride, AldrichCPR;17-hydroxy-6-methylene-19-norpregn-4-ene-3,20-dione17-acetate

Chemical Property of 1-Amino-3-phenoxypropan-2-ol hydrochloride

Chemical Property:

• Vapor Pressure: 6.76E-05mmHg at 25°C
• Melting Point: 145 °C
• Refractive Index: 1.4680 (estimate)
• Boiling Point: 330.2°Cat760mmHg
• Flash Point: 153.5°C
• PSA: 55.48000
• Density: g/cm³
• LogP: 1.88730
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 203.0713064
• Heavy Atom Count: 13
• Complexity: 113

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-1-phenoxy-2-propanolHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCC(CN)O.Cl

Technology Process of 1-Amino-3-phenoxypropan-2-ol hydrochloride

There total 4 articles about 1-Amino-3-phenoxypropan-2-ol hydrochloride 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: 69.0%

1-(2-hydroxy-3-phenoxypropyl)pyrrolidine-2,5-dione (83195-24-8) → d,l-1-Phenoxy-2-hydroxy-3-aminopropane hydrochloride (4287-20-1,86809-29-2)

Guidance literature:

With hydrogenchloride; In ethanol; for 6h; Heating;

DOI:10.1021/jm00354a002

Reference yield:

Phenyl glycidyl ether (122-60-1,71031-02-2) → d,l-1-Phenoxy-2-hydroxy-3-aminopropane hydrochloride (4287-20-1,86809-29-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / pyridine / ethanol / 4 h / Heating

2: 69 percent / conc. aq. HCl / ethanol / 6 h / Heating

With pyridine; hydrogenchloride; In ethanol;

DOI:10.1021/jm00354a002

Reference yield:

C22H21NO2 → d,l-1-Phenoxy-2-hydroxy-3-aminopropane hydrochloride (4287-20-1,86809-29-2)

Guidance literature:

With hydrogenchloride; In water; ethyl acetate; at 60 ℃; for 0.5h; pH=< 4;

DOI:10.1021/acs.oprd.8b00133

upstream raw materials:

1-(2-hydroxy-3-phenoxypropyl)pyrrolidine-2,5-dione

Phenyl glycidyl ether

phenol

Downstream raw materials:

1-(2-(2-hydroxy-3-phenoxypropylamino)acetyl)pyrrolidine-2-carbonitrile

d-1-Phenoxy-2-hydroxy-3-ammoniumpropane-D-pantoate

l-1-Phenoxy-2-hydroxy-3-ammoniumpropane-L-pantoate

3-(2-Hydroxy-3-phenoxy-propylamino)-propionic acid ethyl ester

Refernces

• 1、 -. "NOVEL DIPEPTIDYL-PEPTIDASE-IV INHIBITORS". Paragraph 0073. . Retrieved 2013/07/25.
• 2、 Erhardt,Woo,Gorczynski,Anderson. "Ultra-short-acting β-adrenergic receptor blocking agents. I. (Aryloxy)propanolamines containing esters in the nitrogen substituent". . p. 1402 - 1407. Retrieved 2007/10/02.