1-Amino-3-phenoxypropan-2-ol

Base Information

• Chemical Name: 1-Amino-3-phenoxypropan-2-ol
• CAS No.: 4287-19-8
• Molecular Formula: C₉H₁₃NO₂
• Molecular Weight: 167.208
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID90962749
• Nikkaji Number: J558.365I
• ChEMBL ID: CHEMBL281109
• Mol file: 4287-19-8.mol

Synonyms:1-amino-3-phenoxypropan-2-ol;4287-19-8;1-Amino-3-phenoxy-propan-2-ol;1-Amino-3-phenoxy-2-propanol;2-Propanol,1-amino-3-phenoxy-;CHEMBL281109;2-Propanol, 1-amino-3-phenoxy-;3-phenoxy-2-hydroxypropylamine;Oprea1_207180;Oprea1_841987;SCHEMBL2021875;1-phenoxy-3-amino-propan-2-ol;DTXSID90962749;BDBM50404781;MFCD00218465;STK501216;(2rs)-1-amino-3-phenoxy-2-propanol;AKOS000145796;AKOS016040946;SB85009;NCGC00325796-01;LS-02026;BB 0241917;EN300-37410;AB01320479-02;F1995-0008;Z271072310

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

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 145-147 ºC
• Boiling Point: 330.2 °C at 760 mmHg
• Flash Point: 153.5 °C
• PSA: 55.48000
• Density: 1.129 g/cm³
• LogP: 1.08530
• Water Solubility.: soluble in water
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 167.094628657
• Heavy Atom Count: 12
• Complexity: 113

Purity/Quality:

99.3% ^*data from raw suppliers

1-Amino-3-phenoxypropan-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R21 R22 R34 R37 R38 R41:
• Safety Statements: S25 S28a S36 S37 S39 S45:

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 20 articles about 1-Amino-3-phenoxypropan-2-ol 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: 98.0%

3-azido-1-phenoxy-2-(trimethylsilyloxy)propane → 1-amino-3-phenoxy-isopropanol (4287-19-8,86809-26-9)

Guidance literature:

With formic acid; Pd/Al₂O₃; In ethyl acetate; at 30 ℃; for 18h; Green chemistry;

DOI:10.1039/c3gc40988k

Reference yield: 95.0%

1-N-(trifluoroacetyl)-3-(phenoxy)propan-2-ol (189163-30-2) → 1-amino-3-phenoxy-isopropanol (4287-19-8,86809-26-9)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 0 ℃; for 1h;

DOI:10.1016/S0040-4020(97)00162-2

Reference yield: 95.0%

phenoxyacetaldehyde cyanohydrin (119047-07-3,250670-80-5) → 1-amino-3-phenoxy-isopropanol (4287-19-8,86809-26-9)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1016/0040-4039(88)85056-1

upstream raw materials:

(RS)-1-chloro-3-phenyloxy-2-propanol

Phenyl glycidyl ether

phenoxyacetaldehyde cyanohydrin

5-(phenoxymethyl)-2-amino-2-oxazoline

Downstream raw materials:

1-phenoxy-3-(piperidin-1-yl)propan-2-ol

5-(phenoxymethyl)-2-amino-2-oxazoline

3-(β-Hydroxy-γ-phenoxypropylimino)quinuclidine

2-(γ-phenoxy-β-hydroxypropyl)aminobenzothiazole

Refernces

• 1、 Murugan, Andiappan,Kadambar, Vasantha Krishna,Bachu, Sreekanth,Rajashekher Reddy,Torlikonda, Venkatarao,Manjunatha, Sulur G.,Ramasubramanian, Sridharan,Nambiar, Sudhir,Howell, Gareth P.,Withnall, Jane. "Regio-selective synthesis of 1,2-aminoalcohols from epoxides and chlorohydrins". supporting information. p. 5739 - 5741. Retrieved 2012/11/06.
• 2、 -. "CARBOXAMIDE DERIVATIVE". Page/Page column 67-68. . Retrieved 2010/11/08.