(3-Ethylphenyl)methanamine

Base Information

• Chemical Name: (3-Ethylphenyl)methanamine
• CAS No.: 93071-79-5
• Molecular Formula: C₉H₁₃N
• Molecular Weight: 135.209
• European Community (EC) Number: 820-447-2
• ChEMBL ID: CHEMBL4541991
• Mol file: 93071-79-5.mol

Synonyms:(3-ethylphenyl)methanamine;93071-79-5;3-ethylbenzylamine;Benzenemethanamine, 3-ethyl-;3-Ethylbenzyl Amine;m-ethyl benzylamine;[(3-ethylphenyl)methyl]amine;SCHEMBL284046;CHEMBL4541991;BEBFJOSPYYGOKL-UHFFFAOYSA-N;AKOS006294789;FT-0743008;EN300-263123;F88497

Chemical Property of (3-Ethylphenyl)methanamine

Chemical Property:

• Boiling Point: 217.4±9.0 °C(Predicted)
• PKA: 9.12±0.10(Predicted)
• PSA: 0.00000
• Density: 0.950±0.06 g/cm3(Predicted)
• LogP: 0.00000
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 90.7

Purity/Quality:

99% ^*data from raw suppliers

(3-ethylphenyl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC(=CC=C1)CN

Technology Process of (3-Ethylphenyl)methanamine

There total 2 articles about (3-Ethylphenyl)methanamine 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: 39.0%

→ 1-(3-ethylphenyl)methanamine (93071-79-5)

Guidance literature:

With ammonium hydroxide; hydrogen; In tetrahydrofuran; ethanol; at 10 - 35 ℃; for 12h;

Reference yield:

1-Methyl-3-ethylbenzene (620-14-4) → 1-(3-ethylphenyl)methanamine (93071-79-5) + (1R)-1-(3-methylphenyl)ethan-1-amine (138457-19-9)

Guidance literature:

With C₅H₁₁NO*CHF₃O₃S; In ethanol; water; at 10 ℃; for 12h; pH=7.4; Overall yield = 73 percent; enantioselective reaction; Inert atmosphere; Sealed tube; Enzymatic reaction;

DOI:10.1021/jacs.0c03428

Reference yield:

tert-butyl (1S)-2-(3,5-difluorophenyl)-1-[(2S)-oxiranyl]ethylcarbamate (388071-27-0) + 1-(3-ethylphenyl)methanamine (93071-79-5) → C24H32N2O3F2 (527733-88-6)

Guidance literature:

In isopropyl alcohol; for 5h; Heating;

DOI:10.1016/j.bmcl.2007.03.096

upstream raw materials:

1-Methyl-3-ethylbenzene

Downstream raw materials:

C₂₄H₃₂N₂O₃F₂