3,4-Dimethoxybenzylamine hydrochloride

Base Information

• Chemical Name: 3,4-Dimethoxybenzylamine hydrochloride
• CAS No.: 6967-51-7
• Molecular Formula: C9H13NO2
• Molecular Weight: 203.669
• Hs Code.: 2922299090
• UNII: NZ93HY2EMF
• NSC Number: 68335
• Mol file: 6967-51-7.mol

Synonyms:3,4-dimethoxybenzylamine hydrochloride;6967-51-7;(3,4-Dimethoxyphenyl)methanamine hydrochloride;(3,4-dimethoxyphenyl)methanamine;hydrochloride;1-(3,4-dimethoxyphenyl)methanamine hydrochloride;3,4-DIMETHOXYBENZYLAMINE HCL;NZ93HY2EMF;Veratrylamine, hydrochloride;SCHEMBL9726669;YMKCMLPZLUTFMS-UHFFFAOYSA-N;NSC68335;NSC-68335;AKOS003808239;(3,4-dimethoxybenzyl)amine hydrochloride;AC-11338;N14221;Benzenemethanamine, 3,4-dimethoxy-, hydrochloride;Benzenemethanamine, 3,4-dimethoxy-, hydrochloride (1:1)

Chemical Property of 3,4-Dimethoxybenzylamine hydrochloride

Chemical Property:

• Boiling Point: 291.1ºC at 760 mmHg
• Flash Point: 122.1ºC
• PSA: 44.48000
• Density: 1.062 g/cm³
• LogP: 2.66480
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 203.0713064
• Heavy Atom Count: 13
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

3,4-DIMETHOXYBENZYLAMINE HYDROCHLORIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Dimethoxybenzylamine hydrochloride

There total 4 articles about 3,4-Dimethoxybenzylamine 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: 97.0%

3,4-Dimethoxy-benzaldehyde oxime (2169-98-4,39627-82-2) → (3,4-dimethoxyphenyl)methanamine hydrochloride (6967-51-7)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In ethanol; water; at 20 ℃; under 760.051 Torr;

DOI:10.1002/ddr.21782

Reference yield: 72.5%

3,4-dimethoxy-benzaldehyde (120-14-9) → (3,4-dimethoxyphenyl)methanamine hydrochloride (6967-51-7)

Guidance literature:

3,4-dimethoxy-benzaldehyde; With pyridoxal 5'-phosphate; ArRmut₁₁; isopropylamine; for 24h; Enzymatic reaction;

With hydrogenchloride; In diethyl ether; Reagent/catalyst;

DOI:10.1002/adsc.202100997

Reference yield: 70.0%

veratronitrile (2024-83-1) → (3,4-dimethoxyphenyl)methanamine hydrochloride (6967-51-7)

Guidance literature:

veratronitrile; With phenylsilane; tetrabutyl ammonium fluoride; In tetrahydrofuran; toluene; at 60 ℃; for 1.5h; Inert atmosphere; Schlenk technique;

With hydrogenchloride; In tetrahydrofuran; methanol; toluene; for 1.5h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c3nj00171g

upstream raw materials:

3,4-dimethoxy-benzaldehyde

3,4-Dimethoxy-benzaldehyde oxime

veratronitrile

3,4-dimethoxybenzylamine

Downstream raw materials:

4-chloro-5-(3,4-dimethoxybenzylamino)-2-(2-N,N-dimethylaminoethyl)-3(2H)pyridazinone

N⁶-(3,4-dimethoxybenzyl)adenosine

Ethyl 1-(3,4-dimethoxylbenzyl)-2,4,5-trioxoimidazolidine-3-acetate

1-(3,4-dimethoxybenzyl)imidazolidinetrione

Refernces

• 1、 Ho, Sheau Ling,Lin, Ching-Ting,Lee, Shoei-Sheng. "In silico design and synthesis of N-arylalkanyl 2-naphthamides as a new class of non-purine xanthine oxidase inhibitors". . p. 789 - 801. Retrieved 2021/01/12.
• 2、 Neumann, Jacob,Bornschein, Christoph,Jiao, Haijun,Junge, Kathrin,Beller, Matthias. "Hydrogenation of Aliphatic and Aromatic Nitriles Using a Defined Ruthenium PNP Pincer Catalyst". . p. 5944 - 5948. Retrieved 2015/09/22.