4-Methylphenethylamine

Base Information

• Chemical Name: 4-Methylphenethylamine
• CAS No.: 3261-62-9
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 29215900
• European Community (EC) Number: 221-865-2
• NSC Number: 30278
• UNII: 2APY7DEB6E
• DSSTox Substance ID: DTXSID70186305
• Nikkaji Number: J236.206F
• Wikipedia: 4-Methylphenethylamine
• Wikidata: Q18349178
• Metabolomics Workbench ID: 121259
• ChEMBL ID: CHEMBL103299
• Mol file: 3261-62-9.mol

Synonyms:4-Methylphenethylamine;3261-62-9;2-(p-Tolyl)ethylamine;2-(p-Tolyl)ethanamine;p-Methylphenethylamine;2-(4-Methylphenyl)ethanamine;Benzeneethanamine, 4-methyl-;2-(4-methylphenyl)ethylamine;2-p-Tolyl-ethylamine;2-(4-Methylphenyl)Ethan-1-Amine;2-p-tolylethanamine;2APY7DEB6E;CHEMBL103299;EINECS 221-865-2;NSC-30278;NSC30278;2-p-tolylethylamine;MFCD00008195;p-methylphenylethylamine;4-methyl-phenethylamine;4-methylphenethyl amine;para-methylphenethylamine;2-(4-Tolyl)ethylamine;4-Methylbenzeneethanamine;2-(p-tolyl)-ethylamine;UNII-2APY7DEB6E;4-methyl-Benzeneethanamine;SCHEMBL6081;2-(4-methylphenyl)-ethylamine;2-(p-Tolyl)ethylamine, 97%;[2-(4-methylphenyl)ethyl]amine;2-(4-methylphenyl)-ethyl-amine;2-(4-Methylphenyl)ethanamine #;VKJXAQYPOTYDLO-UHFFFAOYSA-;DTXSID70186305;BDBM50159267;NSC 30278;AKOS000140916;SB36603;AS-19447;LS-191095;A5836;FT-0608677;T2864;2-P-TOLYL-ETHYLAMINE;EN300-146602;AE-562/42006047;J-018804;J-515802;Q18349178

Chemical Property of 4-Methylphenethylamine

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.159mmHg at 25°C
• Melting Point: 116°C (estimate)
• Refractive Index: n20/D 1.527(lit.)
• Boiling Point: 214 °C at 760 mmHg
• PKA: 10.02±0.10(Predicted)
• Flash Point: 90.6 °C
• PSA: 26.02000
• Density: 0.95 g/cm³
• LogP: 2.19650
• 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: 82.7

Purity/Quality:

99% ^*data from raw suppliers

4-Methylphenethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C
• Hazard Codes: Xi,C
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CCN
• Uses: 2-(p-Tolyl)ethylamine was used to prepare secondary amides by amidation of sophorolipid ethyl ester.

Technology Process of 4-Methylphenethylamine

There total 30 articles about 4-Methylphenethylamine 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: 92.0%

(4-methylphenyl)acetonitrile (2947-61-7) → 2-(p-tolyl)ethylamine (3261-62-9)

Guidance literature:

With sodium tetrahydroborate; nickel; sodium hydroxide; In methanol; water; at 30 - 60 ℃;

DOI:10.1039/c1ob06471a

Reference yield: 88.0%

C19H17N3O (291301-31-0) → 2-(p-tolyl)ethylamine (3261-62-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 24h;

DOI:10.1016/S0040-4039(00)00689-4

Reference yield: 75.0%

2-p-tolylnitroethane (72538-33-1) → 2-(p-tolyl)ethylamine (3261-62-9)

Guidance literature:

With sodium tetrahydroborate; palladium on activated charcoal; In tetrahydrofuran; for 0.833333h; Ambient temperature;

DOI:10.1055/s-1987-28055

upstream raw materials:

(4-methylphenyl)acetonitrile

2-(4-methylphenyl)ethyl bromide

Bis-((E)-2-p-tolyl-vinyl)-diazene N,N'-dioxide

4-methyl-β-nitrostyrene

Downstream raw materials:

N-(4-methyl-phenethyl)-β-alanine nitrile

3-<1-(p-tolylethyl)-3-chloro-2-oxo-azetidinyl>indole

5-methyl-4-<2-(4-methylphenyl)ethyl>-2H-1,4-thiazin-3(4H)one

Refernces

• 1、 Du, Yi-Dan,Chen, Bi-Hong,Shu, Wei. "Direct Access to Primary Amines from Alkenes by Selective Metal-Free Hydroamination". supporting information. p. 9875 - 9880. Retrieved 2021/03/29.
• 2、 Weise, Nicholas J.,Thapa, Prasansa,Ahmed, Syed T.,Heath, Rachel S.,Parmeggiani, Fabio,Turner, Nicholas J.,Flitsch, Sabine L.. "Bi-enzymatic Conversion of Cinnamic Acids to 2-Arylethylamines". . p. 995 - 998. Retrieved 2020/01/21.