2-(7-Methoxynaphthalen-1-yl)ethanamine hydrochloride

Base Information

• Chemical Name: 2-(7-Methoxynaphthalen-1-yl)ethanamine hydrochloride
• CAS No.: 139525-77-2
• Molecular Formula: C13H15NO^.HCl
• Molecular Weight: 237.729
• Hs Code.: 2922299090
• European Community (EC) Number: 604-144-0
• DSSTox Substance ID: DTXSID00581546
• Mol file: 139525-77-2.mol

Synonyms:139525-77-2;2-(7-methoxynaphthalen-1-yl)ethanamine hydrochloride;2-(7-METHOXY-1-NAPHTHYL)ETHYLAMINE HYDROCHLORIDE;2-(7-Methoxy-1-naphthyl)ethylamine HCl;2-(7-methoxynaphthalen-1-yl)ethanamine;hydrochloride;2-(7-methoxynaphthalen-1-yl)ethan-1-amine hydrochloride;1-Naphthaleneethanamine, 7-methoxy-, hydrochloride (1:1);2-(7-Methoxynaphthalen-1-yl)ethanaminehydrochloride;1-Naphthaleneethanamine, 7-methoxy-, hydrochloride;SCHEMBL577758;DTXSID00581546;HPYGZUDDGWEYDQ-UHFFFAOYSA-N;BCP18518;MFCD13185884;AKOS015902223;AC-24367;DS-16272;AM20090761;CS-0150261;7-methoxy-1-Naphthaleneethanamine hydrochloride;EN300-7417013;2-(7-Methoxy-1-naphthyl)ethanamine hydrochloride;2-(7-Methoxyl-1-naphthyl)ethanamine hydrochloride;2-(7-methoxynaphth-1-yl)ethylamine hydrochloride;A807554;Z3234890004;2-(7-Methoxynaphthalen-1-yl)ethan-1-amine--hydrogen chloride (1/1);2-(7-methoxy-1-naphthyl)ethanamine hydrochloride;2-(7-Methoxynaphthalen-1-yl)ethanamine hydrochloride

Chemical Property of 2-(7-Methoxynaphthalen-1-yl)ethanamine hydrochloride

Chemical Property:

• Vapor Pressure: 3.04E-06mmHg at 25°C
• Melting Point: 245 °C
• Boiling Point: 383.1 °C at 760 mmHg
• Flash Point: 185.5 °C
• PSA: 35.25000
• Density: 1230 at 19℃
• LogP: 3.85190
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Water (Very Slightly, Heated)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 237.0920418
• Heavy Atom Count: 16
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

7-Methoxy-1-naphthaleneethanamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=CC=C2CCN)C=C1.Cl
• Uses: 7-Methoxy-1-naphthaleneethanamine Hydrochloride acts as a reagent for the synthesis of antidepressant agomelatine by a tandem allylic chlorination-isomerization process. Also, acts as a reagent in the design, preparation and in vitro evaluation of melatonin derivatives as serotonin N-acetyltransferase inhibitors. Agomelatine Impurity 5

Technology Process of 2-(7-Methoxynaphthalen-1-yl)ethanamine hydrochloride

There total 33 articles about 2-(7-Methoxynaphthalen-1-yl)ethanamine hydrochloride 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: 95.0%

1-(cyanomethyl)-7-methoxynaphthalen-2-yl 4-methylbenzene-1-sulfonate → 2-(7-methoxynaphthalen-1-yl)ethanamine hydrochloride (139525-77-2)

Guidance literature:

1-(cyanomethyl)-7-methoxynaphthalen-2-yl 4-methylbenzene-1-sulfonate; With nickel(II) chloride hexahydrate; diethyl boronate; In methanol; at 50 ℃; for 1h;

With hydrogenchloride; In methanol; at 0 ℃; for 1h; Reagent/catalyst; Temperature;

Reference yield: 92.0%

(7-methoxy-1-naphthyl)acetonitrile (138113-08-3) → 2-(7-methoxynaphthalen-1-yl)ethanamine hydrochloride (139525-77-2)

Guidance literature:

With hydrogen; sodium hydroxide; In methanol; water; at 30 ℃; under 3000.3 Torr;

Reference yield: 85.0%

3-(7-methoxynaphthalen-1-yl)propanoic acid (185330-87-4) → 2-(7-methoxynaphthalen-1-yl)ethanamine hydrochloride (139525-77-2)

Guidance literature:

3-(7-methoxynaphthalen-1-yl)propanoic acid; With sulfuric acid; In methanol; for 4h; Reflux;

With hydrazine; at 20 ℃; for 20h;

With hydrogenchloride; sodium nitrite; In tetrahydrofuran; water; at 0 - 20 ℃; for 18h;

upstream raw materials:

2-(2-methoxynaphthalen-8-yl)acetamide

(7-methoxy-1-naphthyl)acetonitrile

2-(7-methoxynaphthalen-1-yl)acetic acid

(7-methoxy-1-naphthyl)acetic acid chloride

Downstream raw materials:

N-[2-(7-methoxy-1-naphthyl)ethyl]cyclobutanecarboxamide

N-[2-(7-methoxynaphth-1-yl)ethyl]-4chlorobutyramide

S 20099

S 20251

Refernces

• 1、 -. "2 - (7 - Methoxy -1 - naphthyl) ethylamine preparation method". Paragraph 0015-0016. . Retrieved 2018/07/30.
• 2、 -. "PROCESS FOR THE PREPARATION OF AGOMELATINE". Paragraph 0075-0078. . Retrieved 2017/02/09.