2-Amino-1-(3,4-dimethylphenyl)ethanol

Base Information

• Chemical Name: 2-Amino-1-(3,4-dimethylphenyl)ethanol
• CAS No.: 786600-48-4
• Molecular Formula: C₁₀H₁₅NO
• Molecular Weight: 165.235
• DSSTox Substance ID: DTXSID20656341
• Nikkaji Number: J701.466J
• Mol file: 786600-48-4.mol

Synonyms:2-AMINO-1-(3,4-DIMETHYLPHENYL)ETHANOL;786600-48-4;2-Amino-1-(3,4-dimethylphenyl)ethan-1-ol;DTXSID20656341;AKOS009942897;1-(3,4-Dimethylphenyl)-2-aminoethanol;CS-0434696;C78470;EN300-1147106

Chemical Property of 2-Amino-1-(3,4-dimethylphenyl)ethanol

Chemical Property:

• Boiling Point: 318.335 °C at 760 mmHg
• Flash Point: 146.324 °C
• PSA: 46.25000
• Density: 1.054 g/cm³
• LogP: 1.99580
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

2-AMINO-1-(3,4-DIMETHYLPHENYL)ETHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(CN)O)C

Technology Process of 2-Amino-1-(3,4-dimethylphenyl)ethanol

There total 8 articles about 2-Amino-1-(3,4-dimethylphenyl)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: 63.0%

1-(3,4-dimethylphenyl)-2-nitroethan-1-ol (854179-33-2) → 2-amino-1-(3,4-dimethylphenyl)ethan-1-ol (786600-48-4)

Guidance literature:

With formic acid; hydrogen; In methanol; water;

DOI:10.1016/j.bmc.2017.05.055

Reference yield:

2-bromo-1-(3,4-dimethylphenyl)ethanone (2633-50-3) → 2-amino-1-(3,4-dimethylphenyl)ethan-1-ol (786600-48-4)

Guidance literature:

Multi-step reaction with 3 steps

1: benzene / 72 h / Ambient temperature

2: NaBH₄ / ethanol / 2 h / Ambient temperature

3: H₂ / 10percent Pd/C / ethanol / 760 Torr / Ambient temperature

With sodium tetrahydroborate; hydrogen; palladium on activated charcoal; In ethanol; benzene;

DOI:10.1016/0223-5234(96)88306-1

Reference yield:

1-(3,4-dimethylphenyl)-2-dibenzylaminoethanol (20973-37-9) → 2-amino-1-(3,4-dimethylphenyl)ethan-1-ol (786600-48-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 760 Torr; Ambient temperature;

DOI:10.1016/0223-5234(96)88306-1

upstream raw materials:

1-(3,4-dimethylphenyl)-2-dibenzylaminoethanol

(3,4-dimethyl-phenyl)-glyoxal-2-oxime

2-bromo-1-(3,4-dimethylphenyl)ethanone

ω-(dibenzylamino)-3,4-dimethylacetophenone

Refernces

• 1、 Macchia, B.,Macchia, M.,Manera, C.,Martinotti, E.,Nancetti, S.,et al.. "Role of the benzylic hydroxyl group of adrenergic catecholamines in eliciting α-adrebergic activity. Synthesis and α1- and α2-adrenergic activity of 3-phenyl-3-piperidinols and their desoxy analogs". . p. 869 - 880. Retrieved 2007/10/03.