(S)-1-(4-Methoxyphenyl)ethanamine hydrochloride

Base Information

• Chemical Name: (S)-1-(4-Methoxyphenyl)ethanamine hydrochloride
• CAS No.: 574744-39-1
• Molecular Formula: C₉H₁₃NO*ClH
• Molecular Weight: 187.669
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID40703462
• Mol file: 574744-39-1.mol

Synonyms:574744-39-1;(S)-1-(4-Methoxyphenyl)ethanamine hydrochloride;(S)-(-)-1-(4-METHOXYPHENYL)ETHYLAMINE-HCl;(S)-(-)-1-(4-Methoxyphenyl)ethylamine hydrochloride;(S)-1-(4-Methoxyphenyl)ethanaminehydrochloride;(S)-1-(4-methoxyphenyl)ethan-1-amine hydrochloride;DTXSID40703462;AKOS015923132;(S)-1-(4-methoxyphenyl)ethylamine HCl;(1S)-1-(4-methoxyphenyl)ethanamine;hydrochloride;(1S)-1-(4-Methoxyphenyl)ethan-1-amine--hydrogen chloride (1/1)

Chemical Property of (S)-1-(4-Methoxyphenyl)ethanamine hydrochloride

Chemical Property:

• PSA: 35.25000
• LogP: 3.21720
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 187.0763918
• Heavy Atom Count: 12
• Complexity: 108

Purity/Quality:

98% ^*data from raw suppliers

(S)-1-(4-Methoxyphenyl)ethanaminehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)OC)N.Cl
• Isomeric SMILES: C[C@@H](C1=CC=C(C=C1)OC)N.Cl

Technology Process of (S)-1-(4-Methoxyphenyl)ethanamine hydrochloride

There total 13 articles about (S)-1-(4-Methoxyphenyl)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%

C9H11NO*ClH (1164111-39-0) → (1S)-[1-(4-methoxyphenyl)ethyl]amine hydrochloride (574744-39-1,911373-69-8)

Guidance literature:

With 2,6-bis(3,5-bis(3,7-bis(trifluoromethyl)naphthalen-1-yl)phenyl)-4H-dinaphtho[2,1-d:1',2'-f][1,3,2]dithiazepine 3,3,5,5-tetraoxide; di-tert-butyl 1,4-dihydro-2,6-dimethyl-3,5-pyridine-dicarboxylate; In tert-butyl methyl ether; methyl cyclohexane; at 20 ℃; for 24h; enantioselective reaction; Inert atmosphere; Molecular sieve;

DOI:10.1055/s-0040-1706413

Reference yield: 95.0%

C9H11NO*ClH (1164111-39-0) → (R)-1-(4-methoxyphenyl)ethanamine hydrochloride (574744-39-1,911373-69-8)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; 1,1'-bis[(S)-4,5-dihydro-3H-binaphtho[2,1-c:1',2'-e]phosphino]ferrocene; hydrogen; In methanol; dichloromethane; at 20 ℃; for 20h; under 7600.51 Torr; optical yield given as %ee; enantioselective reaction; Inert atmosphere;

DOI:10.1021/ja903319r

Reference yield: 92.0%

(RS)-N-((S)-1-(4-methoxyphenyl)ethyl)-2-methylpropane-2-sulfinamide (911372-64-0) → (1S)-[1-(4-methoxyphenyl)ethyl]amine hydrochloride (574744-39-1,911373-69-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃;

DOI:10.1021/jo0609834

upstream raw materials:

p-ethylanisole

4-methoxyacetophenone oxime

1-(4-methoxyphenyl)ethanone

4-methoxyphenylacetylen

Refernces

• 1、 Wakchaure, Vijay N.,Obradors, Carla,List, Benjamin. "Chiral Bronsted Acids Catalyze Asymmetric Additions to Substrates that Are Already Protonated: Highly Enantioselective Disulfonimide-Catalyzed Hantzsch Ester Reductions of NH-Imine Hydrochloride Salts". supporting information. p. 1707 - 1712. Retrieved 2020/08/28.
• 2、 -. "Synthesis method of primary amine hydrochloride". Paragraph 0064-0067. . Retrieved 2019/03/09.