Guaiactamine

Base Information

• Chemical Name: Guaiactamine
• CAS No.: 15687-23-7
• Molecular Formula: C13H21 N O2
• Molecular Weight: 223.31
• Hs Code.: 2922299090
• UNII: 261MHO395H
• DSSTox Substance ID: DTXSID6046139
• Nikkaji Number: J9.009C
• Wikidata: Q27254031
• NCI Thesaurus Code: C65822
• ChEMBL ID: CHEMBL1617540
• Mol file: 15687-23-7.mol

Synonyms:Guaiactamine;Gaiactamine;N,N-Diethyl-2-(2-methoxyphenoxy)ethanamine;15687-23-7;Guaiactamine [INN];2-(o-Methoxyphenoxy)triethylamine;Guaiactaminum;Guayactamina;o-Methoxyphenoxyethyldiethylamine;Guaiactaminum [INN-Latin];Guayactamina [INN-Spanish];Triethylamine, 2-(o-methoxyphenoxy)-;930F;Ethanamine, N,N-diethyl-2-(2-methoxyphenoxy)-;BRN 3269003;UNII-261MHO395H;DTXSID6046139;261MHO395H;NCGC00160415-01;4-06-00-05590 (Beilstein Handbook Reference);Gaietamine;Oprea1_801015;SCHEMBL25797;GUAIACTAMINE [WHO-DD];CHEMBL1617540;DTXCID4026139;OTEAKJIIJRDXBV-UHFFFAOYSA-N;Tox21_111798;STK662512;AKOS001723426;CAS-15687-23-7;Diethyl-[2-(2-methoxyphenoxy)ethyl]-amine;LS-157357;N,N-Diethyl-2-(2-methoxyphenoxy)ethanamine #;Q27254031

Chemical Property of Guaiactamine

Chemical Property:

• Vapor Pressure: 0.00127mmHg at 25°C
• Boiling Point: 298.5°Cat760mmHg
• Flash Point: 91.7°C
• PSA: 21.70000
• Density: 0.982g/cm³
• LogP: 2.41580
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 223.157228913
• Heavy Atom Count: 16
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

GUAIACTAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCOC1=CC=CC=C1OC
• Uses: Gaiactamine is used in the preparation of isoindolines as adrenergic neuronal blocking agents.

Technology Process of Guaiactamine

There total 9 articles about Guaiactamine 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: 76.0%

diethyl <(2-methoxy)phenoxy>acetamide (92197-74-5) → 2-(2-diethylamino-ethoxy)-phenol + diethyl-[2-(2-methoxy-phenoxy)-ethyl]-amine (15687-23-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 20h; Heating;

Reference yield:

2-(2-methoxyphenoxy)acetyl chloride (40926-73-6) → diethyl-[2-(2-methoxy-phenoxy)-ethyl]-amine (15687-23-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 59 percent / tetrahydrofuran / 20 h / Heating

2: 76 percent / LiAlH₄ / tetrahydrofuran / 20 h / Heating

With lithium aluminium tetrahydride; In tetrahydrofuran;

Reference yield:

2-methoxy-phenol (90-05-1) → diethyl-[2-(2-methoxy-phenoxy)-ethyl]-amine (15687-23-7)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

2-(methoxyphenoxy)ethylbromide

diethylamine

sodium 2-methoxyphenolate

2-(diethylamino)ethyl chloride

Refernces