2-Amino-1-(4-methylphenyl)ethanol

Base Information

• Chemical Name: 2-Amino-1-(4-methylphenyl)ethanol
• CAS No.: 53360-85-3
• Molecular Formula: C9H13NO
• Molecular Weight: 151.208
• Hs Code.: 2921499090
• European Community (EC) Number: 825-014-1
• DSSTox Substance ID: DTXSID40393261,DTXSID90903137
• Nikkaji Number: J532.133F
• Mol file: 53360-85-3.mol

Synonyms:2-amino-1-(4-methylphenyl)ethanol;53360-85-3;2-Amino-1-(p-tolyl)ethanol;2-amino-1-(4-methylphenyl)ethan-1-ol;MFCD03840176;1794884-99-3;NoName_3734;2-Amino-1-p-tolylethanol;2-Amino-1-p-tolyl-ethanol;SCHEMBL531326;DTXSID40393261;DTXSID90903137;JHBXVBYRGVHEAH-UHFFFAOYSA-N;1-(4-Methylphenyl)-2-aminoethanol;AKOS000123489;AKOS016051327;alpha-(aminomethyl)-p-methylbenzyl alcohol;BB 0258400;CS-0434705;FT-0661814;Phenanthrene-13C6 (Contain ~5% unlabeled);EN300-39103;2-amino-1-(4-methylphenyl)ethanol, AldrichCPR;C78285;AB00995388-01;F2189-0836;Z336086536

Chemical Property of 2-Amino-1-(4-methylphenyl)ethanol

Chemical Property:

• Melting Point: 68-69 °C(Solv: hexane (110-54-3))
• Boiling Point: 300.9±27.0 °C(Predicted)
• PKA: 12.17±0.35(Predicted)
• PSA: 46.25000
• Density: 1.076±0.06 g/cm3(Predicted)
• LogP: 1.68740
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 108

Purity/Quality:

99.90% ^*data from raw suppliers

2-Amino-1-(4-methylphenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(CN)O
• Uses: A α-substituted phenylethanolamines that binds reversibly to the octopaminergic receptor.

Technology Process of 2-Amino-1-(4-methylphenyl)ethanol

There total 21 articles about 2-Amino-1-(4-methylphenyl)ethanol 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: 97.0%

2-azido-1-(4-methylphenyl)ethanol (144924-03-8) → 2-amino-1-(4-methylphenyl)ethanol (53360-85-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 30 ℃; for 2h; under 7500.75 Torr; Green chemistry;

DOI:10.1039/c3gc41666f

Reference yield: 95.0%

1-(4-methylphenyl)-2-nitroethanol (28691-43-2) → 2-amino-1-(4-methylphenyl)ethanol (53360-85-3)

Guidance literature:

palladium-carbon; In methanol;

Reference yield: 95.0%

2-(2-hydroxy-2-p-tolyl-ethyl)-isoindole-1,3-dione (100422-99-9) → 2-amino-1-(4-methylphenyl)ethanol (53360-85-3)

Guidance literature:

With hydrazine hydrate; In water; at 60 ℃; for 3h;

DOI:10.1080/00397911.2011.603876

upstream raw materials:

N-hydroxy-2-oxo-2-p-tolyl-acetimidoyl chloride

2-hydroxy-2-(4-methylphenyl)acetonitrile

α-acetoxy-2-(4-methylphenyl)acetonitrile

2-amino-4'-methylacetophenone hydrochloride

Downstream raw materials:

5-(p-tolyl)oxazolidin-2-one

1-(2,5-dimethyl-2H-pyrazol-3-yl)-3-(2-hydroxy-2-p-tolylethyl)urea

C₂₃H₃₇NO₂

C₂₃H₃₉NO₂