4-Methoxy-N-methylbenzylamine hydrochloride

Base Information

• Chemical Name: 4-Methoxy-N-methylbenzylamine hydrochloride
• CAS No.: 876-32-4
• Molecular Formula: C9H14ClNO
• Molecular Weight: 187.669
• Hs Code.: 2922299090
• European Community (EC) Number: 839-654-4
• ChEMBL ID: CHEMBL13542
• DSSTox Substance ID: DTXSID90589495
• Mol file: 876-32-4.mol

Synonyms:4-Methoxy-N-methylbenzylamine hydrochloride;876-32-4;[(4-methoxyphenyl)methyl](methyl)amine hydrochloride;4-Methoxy-n-methylbenzylamine, HCl;1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride;4-Methoxy-n-methylbenzylamine HCl;MFCD04117881;CHEMBL13542;1-(4-methoxyphenyl)-N-methylmethanamine hydrochloride;SCHEMBL5057702;DTXSID90589495;CS-D0541;AKOS015849139;GS-4308;SB73807;AC-36907;SY002628;DB-001865;EN300-342672;F14713;A862495;4-METHOXY-N-METHYLBENZYLAMINE HYDROCHLORIDE Salt;1-(4-methoxyphenyl)-N-methyl-methanamine;1-(4-Methoxyphenyl)-N-methylmethanamine--hydrogen chloride (1/1)

Chemical Property of 4-Methoxy-N-methylbenzylamine hydrochloride

Chemical Property:

• Vapor Pressure: 0.00919mmHg at 25°C
• Melting Point: 176 °C
• Boiling Point: 261.2 °C at 760 mmHg
• Flash Point: 111.8 °C
• PSA: 21.26000
• LogP: 2.60750
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 187.0763918
• Heavy Atom Count: 12
• Complexity: 97.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Methoxy-N-methylbenzylamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=CC=C(C=C1)OC.Cl

Technology Process of 4-Methoxy-N-methylbenzylamine hydrochloride

There total 2 articles about 4-Methoxy-N-methylbenzylamine 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:

4-methoxy-N-methylbenzylamine (702-24-9) + 3-(3-amino-4-fluorophenyl)-7-chloro-1-isopropyl-1,6-naphthyridin-2(1H)-one (1012879-33-2) → 3-(3-amino-4-fluoro-phenyl)-1-isopropyl-7-[(4-methoxybenzyl)-methylamino]-1H-[1,6]naphthyridin-2-one + 1-(4-methoxyphenyl)-N-methylmethanamine hydrochloride (876-32-4)

Guidance literature:

With 3-(5-amino-2-chloro-4-fluorophenyl)-1-ethyl-7-(2-methoxyethylamino)-1,6-naphthyridin-2(1H)-one; In 1,4-dioxane; at 180 ℃; for 4h; Overall yield = 5.3 g; Inert atmosphere;

Reference yield:

N-(4-methoxy-benzyl)-4,N-dimethyl-benzenesulfonamide → 1-(4-methoxyphenyl)-N-methylmethanamine hydrochloride (876-32-4)

Guidance literature:

N-(4-methoxy-benzyl)-4,N-dimethyl-benzenesulfonamide; With potassium diphenylphosphine; In tetrahydrofuran; at -78 ℃; for 2h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/ja309642r

Reference yield: 57.0%

3-[(5-chloro-1,3-benzoxazol-2-yl)methoxy]-2,6-difluorobenzenecarboxamide + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-(4-methoxyphenyl)-N-methylmethanamine hydrochloride (876-32-4) → C25H22ClF2N3O4 (1459695-33-0)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 65 ℃; for 2h; Sealed tube;

upstream raw materials:

4-methoxy-N-methylbenzylamine

3-(3-amino-4-fluorophenyl)-7-chloro-1-isopropyl-1,6-naphthyridin-2(1H)-one

Downstream raw materials:

N‐[(4‐methoxyphenyl)methyl]‐N‐methylcarbamoyl chloride

N-(tert-butoxycarbonyl)-N-methyl(p-methoxybenzyl)amine

C₂₄H₂₁ClF₂N₄O₃S

C₂₅H₂₂ClF₂N₃O₄

Refernces

• 1、 Yoshida, Suguru,Igawa, Kazunobu,Tomooka, Katsuhiko. "Nucleophilic substitution reaction at the nitrogen of arylsulfonamides with phosphide anion". supporting information. p. 19358 - 19361. Retrieved 2013/02/22.