(4-methoxyphenyl)methanamine Hydrochloride

Base Information

• Chemical Name: (4-methoxyphenyl)methanamine Hydrochloride
• CAS No.: 17061-61-9
• Molecular Formula: C8H11 N O . Cl H
• Molecular Weight: 173.642
• NSC Number: 230417
• DSSTox Substance ID: DTXSID50937796
• ChEMBL ID: CHEMBL269196
• Mol file: 17061-61-9.mol

Synonyms:(4-methoxyphenyl)methanamine Hydrochloride;17061-61-9;4-methoxybenzylamine hydrochloride;(4-methoxyphenyl)methanamine;hydrochloride;CHEMBL269196;SCHEMBL1715149;DTXSID50937796;COWZNYTZVVEEKO-UHFFFAOYSA-N;NSC230417;4-methoxybenzylamine hydrogen chloride;AKOS004906848;NSC-230417;1-(4-methoxyphenyl)methanamine hydrochloride;1-(4-Methoxyphenyl)methanamine--hydrogen chloride (1/1)

Chemical Property of (4-methoxyphenyl)methanamine Hydrochloride

Chemical Property:

• Melting Point: 243-244℃
• Boiling Point: 236.5°Cat760mmHg
• Flash Point: 98.8°C
• PSA: 35.25000
• Density: 1.028g/cm³
• LogP: 2.65620
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 173.0607417
• Heavy Atom Count: 11
• Complexity: 87.3

Purity/Quality:

99.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CN.Cl

Technology Process of (4-methoxyphenyl)methanamine Hydrochloride

There total 17 articles about (4-methoxyphenyl)methanamine 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: 99.0%

(p-methoxyphenyl)nitromethane (29559-26-0) → 4-methoxybenzylamine hydrochloride (17061-61-9)

Guidance literature:

(p-methoxyphenyl)nitromethane; With triethyl borane; potassium tert-butylate; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In tetrahydrofuran; at 100 ℃; for 24h; Inert atmosphere; Sealed tube; Green chemistry;

With hydrogenchloride; In water; at 20 ℃; for 6h; Green chemistry;

Reference yield: 99.0%

4-methoxybenzonitrile (874-90-8) → 4-methoxybenzylamine hydrochloride (17061-61-9)

Guidance literature:

With hydrogenchloride; hydrogen; In propan-1-ol; water; at 60 ℃; for 18h; under 1125.11 Torr; Flow reactor;

DOI:10.1002/open.201600166

Reference yield: 98.0%

4-methoxyphenylacetamide (3424-93-9) → 4-methoxybenzylamine hydrochloride (17061-61-9)

Guidance literature:

4-methoxyphenylacetamide; With phenylsilane; C₃₆H₄₈F₆N₆NiO₅S₂; In toluene; at 110 ℃; for 12h; Inert atmosphere; Schlenk technique;

With hydrogenchloride; In diethyl ether;

DOI:10.1039/d1cc03537a

upstream raw materials:

2-(4-methoxyphenyl)acetamide

4-methoxybenzonitrile

4-cyanophenol

dimethyl sulfate

Downstream raw materials:

[2-mercapto-1-(4-methoxybenzyl)-1H-imidazol-5-yl]methanol

2-azido-3-[3-(4-methoxy-benzyl)-2-propylsulfanyl-3H-imidazol-4-yl]-acrylic acid ethyl ester

2-azido-3-[2-ethylsulfanyl-3-(4-methoxy-benzyl)-3H-imidazol-4-yl]-acrylic acid ethyl ester

2-azido-3-[3-(4-methoxy-benzyl)-2-methylsulfanyl-3H-imidazol-4-yl]-acrylic acid ethyl ester

Refernces

• 1、 Yu, Jinhai,Zong, Weilu,Ding, Yingying,Liu, Junzhong,Chen, Lina,Zhang, Hongjuan,Jiao, Qingcai. "Fabrication of ω-Transaminase@Metal-Organic Framework Biocomposites for Efficiently Synthesizing Benzylamines and Pyridylmethylamines". . p. 380 - 390. Retrieved 2021/11/05.
• 2、 Sarkar, Koushik,Das, Kuhali,Kundu, Abhishek,Adhikari, Debashis,Maji, Biplab. "Phosphine-Free Manganese Catalyst Enables Selective Transfer Hydrogenation of Nitriles to Primary and Secondary Amines Using Ammonia-Borane". . p. 2786 - 2794. Retrieved 2021/03/03.