1-(2,4-Difluorophenyl)-N-methylmethanamine

Base Information

• Chemical Name: 1-(2,4-Difluorophenyl)-N-methylmethanamine
• CAS No.: 696589-32-9
• Molecular Formula: C8H9 F2 N
• Molecular Weight: 157.163
• Hs Code.: 2921490090
• European Community (EC) Number: 973-485-8
• DSSTox Substance ID: DTXSID80588270
• Wikidata: Q82480840
• Mol file: 696589-32-9.mol

Synonyms:696589-32-9;1-(2,4-Difluorophenyl)-N-methylmethanamine;N-(2,4-difluorobenzyl)-N-methylamine;Benzenemethanamine, 2,4-difluoro-N-methyl- (9CI);[(2,4-difluorophenyl)methyl](methyl)amine;2,4-Difluoro-N-methyl-benzylamine;2,4-Difluoro-N-methylbenzylamine;SCHEMBL2095744;DTXSID80588270;MFCD09047006;AKOS000130713;MCULE-4162195630;SB76660;DS-15959;DB-345131;CS-0151012;EN300-28892;N12443;A866790;1-(2 pound not4-Difluorophenyl)-N-methylmethanamine;Z102767946

Chemical Property of 1-(2,4-Difluorophenyl)-N-methylmethanamine

Chemical Property:

• PSA: 12.03000
• LogP: 2.07510
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 157.07030562
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

97% ^*data from raw suppliers

1-(2,4-Difluorophenyl)-N-methylmethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=C(C=C(C=C1)F)F

Technology Process of 1-(2,4-Difluorophenyl)-N-methylmethanamine

There total 2 articles about 1-(2,4-Difluorophenyl)-N-methylmethanamine 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:

2,4-difluorobenzaldehyde (1550-35-2) + methylamine hydrochloride (593-51-1) → 1-(2,4-difluorophenyl)-N-methylmethanamine (696589-32-9)

Guidance literature:

methylamine hydrochloride; With potassium carbonate; In methanol; at 20 ℃; for 0.5h;

2,4-difluorobenzaldehyde; In methanol; at 20 ℃; for 1h;

With methanol; sodium tetrahydroborate; at 0 - 20 ℃; for 3h;

DOI:10.1021/acs.jmedchem.6b01196

Reference yield:

→ 1-(2,4-difluorophenyl)-N-methylmethanamine (696589-32-9)

Guidance literature:

Reference yield: 90.0%

1-(2,4-difluorophenyl)-N-methylmethanamine (696589-32-9) + (S)-1-(3-chloro-benzyl)-4-oxo-pyrrolidine-2-carboxylic acid methyl ester (1092099-22-3) → (2S,4S)-1-(3-Chloro-benzyl)-4-[(2,4-difluoro-benzyl)-methyl-amino]-pyrrolidine-2-carboxylic acid methyl ester (1092099-23-4)

Guidance literature:

1-(2,4-difluorophenyl)-N-methylmethanamine; (S)-1-(3-chloro-benzyl)-4-oxo-pyrrolidine-2-carboxylic acid methyl ester; acetic acid; In dichloromethane; for 0.333333h;

With sodium tris(acetoxy)borohydride; In dichloromethane; at 0 - 20 ℃;

With sodium hydrogencarbonate; In dichloromethane; water;

upstream raw materials:

2,4-difluorobenzaldehyde

methylamine hydrochloride

Downstream raw materials:

(2S,4S)-1-(3-Chloro-benzyl)-4-[(2,4-difluoro-benzyl)-methyl-amino]-pyrrolidine-2-carboxylic acid methyl ester

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