N-methyl-2-phenoxyethanamine

Base Information

• Chemical Name: N-methyl-2-phenoxyethanamine
• CAS No.: 37421-04-8
• Molecular Formula: C9H13NO
• Molecular Weight: 151.208
• Hs Code.: 2922299090
• European Community (EC) Number: 679-325-0
• NSC Number: 165619
• DSSTox Substance ID: DTXSID30190862
• Nikkaji Number: J925.634B
• Wikidata: Q83063312
• ChEMBL ID: CHEMBL136311
• Mol file: 37421-04-8.mol

Synonyms:N-methyl-2-phenoxyethanamine;37421-04-8;N-Methyl-2-phenoxyethylamine;n-methyl-2-phenoxy-ethylamin;Methyl(2-Phenoxyethyl)Amine;Methyl-(2-phenoxy-ethyl)-amine;ETHYLAMINE, N-METHYL-2-PHENOXY-;Ethanamine, N-methyl-2-phenoxy-;N-Methyl-2-phenoxyethan-1-amine;alpha-Phenoxy-beta-methylaminoethane;BRN 2357146;CHEMBL136311;N-methyl-N-(2-phenoxyethyl)amine;N-Methyl-2-phenoxy-ethanamine;NSC165619;O(CCNC)c1ccccc1;n-methyl-2-phenoxyethylamin;N-methyl-N-phenoxyethylamine;SCHEMBL595753;DTXSID30190862;N-(2-phenyloxyethyl)-methylamine;N-Methyl-n-(2-phenoxyethyl)amne;HMS1704O01;BBL028178;BDBM50061969;MFCD00085690;STK065310;AKOS000117273;NSC 165619;NSC-165619;SB76640;BS-23786;LS-68251;N-Methyl-2-phenoxyethanamine, AldrichCPR;BB 0220213;CS-0096259;EN300-07092;H11358;A853674;J-523691;Z56945505

Chemical Property of N-methyl-2-phenoxyethanamine

Chemical Property:

• Vapor Pressure: 0.0474mmHg at 25°C
• Boiling Point: 236.4°C at 760 mmHg
• PKA: 9.23±0.10(Predicted)
• Flash Point: 90.7°C
• PSA: 21.26000
• Density: 0.973±0.06 g/cm3(Predicted)
• LogP: 1.67570
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 89.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Methyl-2-phenoxyethanamine 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/38

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCOC1=CC=CC=C1

Technology Process of N-methyl-2-phenoxyethanamine

There total 8 articles about N-methyl-2-phenoxyethanamine 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:

2-Phenoxyethanol (122-99-6,56257-90-0,9004-78-8) → N-methyl-2-phenoxyethan-1-amine (37421-04-8)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 48 h / 0 - 10 °C

2: K₂CO₃ / ethanol; dioxane / 3 h / Heating

With pyridine; potassium carbonate; In 1,4-dioxane; ethanol;

DOI:10.1021/jm970507t

Reference yield:

phenol (108-95-2,27073-41-2) → N-methyl-2-phenoxyethan-1-amine (37421-04-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 2 N aq. NaOH / 2 h / Heating

2: pyridine / 48 h / 0 - 10 °C

3: K₂CO₃ / ethanol; dioxane / 3 h / Heating

With pyridine; sodium hydroxide; potassium carbonate; In 1,4-dioxane; ethanol;

DOI:10.1021/jm970507t

Reference yield:

N-methyl-2-phenoxyacetamide (15422-25-0) → N-methyl-2-phenoxyethan-1-amine (37421-04-8)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/ja01523a059

upstream raw materials:

N-methyl-2-phenoxyacetamide

phenoxyethyl bromide

methylamine

Benzyl-methyl-(2-phenoxy-ethyl)-amine

Downstream raw materials:

N-(2-hydroxyethyl)-N-methylaminobenzene

3-Chloro-N-methyl-N-(2-phenoxyethyl)-2-pyrazinamine

2-Anilinoethanol

Refernces

• 1、 Schnekenburger. "Ditertiary diamine compounds". . p. 1853 - 1858. Retrieved 2007/10/05.