1-Amino-1-phenylpropan-2-ol

Base Information

• Chemical Name: 1-Amino-1-phenylpropan-2-ol
• CAS No.: 52500-61-5
• Molecular Formula: C9H13NO
• Molecular Weight: 151.208
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID80493471
• Mol file: 52500-61-5.mol

Synonyms:1-amino-1-phenylpropan-2-ol;52500-61-5;BETA-AMINO-ALPHA-METHYL-BENZENEETHANOL;1-amino-1-phenyl-2-propanol;UNII-OC06UMO4CQ;1-Phenyl-2-hydroxypropylamine;beta-Amino-alpha-methylphenethyl Alcohol;Benzeneethanol, beta-amino-alpha-methyl-;OC06UMO4CQ;beta-Amino-alpha-methylphenethyl alcohol [MI];SCHEMBL2196928;AMY6541;DTXSID80493471;AAEOXZIUGCXWTF-UHFFFAOYSA-N;MFCD11213424;AKOS015916996;SB76159;(1RS,2SR)-1-Amino-1-phenyl-propan-2-ol;FT-0760119;EN300-160478;N11175

Chemical Property of 1-Amino-1-phenylpropan-2-ol

Chemical Property:

• Vapor Pressure: 0.0011mmHg at 25°C
• Melting Point: 76-80℃
• Boiling Point: 288.1°C at 760 mmHg
• Flash Point: 128.1°C
• PSA: 46.25000
• Density: 1.071g/cm³
• LogP: 1.76750
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

1-Amino-1-phenylpropan-2-ol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C1=CC=CC=C1)N)O

Technology Process of 1-Amino-1-phenylpropan-2-ol

There total 40 articles about 1-Amino-1-phenylpropan-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: 88.0%

N-methylisoephedrine (160745-23-3) → 2-hydroxy-1-phenylpropylamine (52500-61-5) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + benzaldehyde (100-52-7) + acetaldehyde (75-07-0,9002-91-9) + dimethyl amine (124-40-3) + methylamine (74-89-5)

Guidance literature:

With water; at 25 ℃; Product distribution; Mechanism; anodic oxidation, carbonate buffer, pH 10; effect of substituents investigated with different types of β-alkanolamines;

Reference yield: 69.0%

isoephedrine (491-82-7) → 2-hydroxy-1-phenylpropylamine (52500-61-5) + benzaldehyde (100-52-7) + acetaldehyde (75-07-0,9002-91-9) + methylamine (74-89-5)

Guidance literature:

With water; at 25 ℃; Further byproducts given; anodic oxidation, pH 10, carbonate buffer;

Reference yield: 47.0%

1-Benzyloxyamino-1-phenyl-propan-2-ol (107002-91-5,107032-15-5,116701-70-3) → 2-hydroxy-1-phenylpropylamine (52500-61-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Heating;

DOI:10.1021/jo00258a004

upstream raw materials:

1-phenyl-propane-1,2-dione 1-oxime

isoephedrine

(R/S)-2-(ethylamino)-1-phenylethanol

N-methylisoephedrine

Downstream raw materials:

3-phenyl-2-propanol

(1R,2S/1R,2R)-1-amino-1-phenylpropan-2-ol

4-nitro-benzoic acid-((1RS,2RS)-2-hydroxy-1-phenyl-propylamide)

(1S,2R)-1-Phenyl-2-{[1-thiophen-2-yl-meth-(E)-ylidene]-amino}-propan-1-ol