N-Methyl-2-fluorobenzylamine

Base Information

• Chemical Name: N-Methyl-2-fluorobenzylamine
• CAS No.: 399-30-4
• Molecular Formula: C8H10 F N
• Molecular Weight: 139.173
• Hs Code.: 2921499090
• European Community (EC) Number: 624-989-9
• DSSTox Substance ID: DTXSID40366192
• Nikkaji Number: J2.737.893E
• Wikidata: Q82151313
• Mol file: 399-30-4.mol

Synonyms:399-30-4;N-Methyl-2-fluorobenzylamine;(2-Fluorobenzyl)methylamine;2-Fluoro-N-methylbenzylamine;1-(2-fluorophenyl)-N-methylmethanamine;2-Fluoro-N-methylbenzyl amine;N-(2-fluorobenzyl)-N-methylamine;MFCD04629633;Benzenemethanamine, 2-fluoro-N-methyl-;[(2-fluorophenyl)methyl](methyl)amine;1-(2-fluorophenyl)-N-methyl-methanamine;n-methyl-o-fluorobenzylamine;SCHEMBL6819;(2-fluoro-benzyl)-methyl amine;(2-fluoro-benzyl)-methyl-amine;DTXSID40366192;AHIHZCXUWGORQO-UHFFFAOYSA-N;HMS1771B12;2-Fluoro-N-methylbenzylamine, 97%;AKOS000200521;AC-7267;CS-W005782;DS-9231;NCGC00374047-01;SY005451;AM20050043;BB 0218306;FT-0698377;EN300-07361;A873531;Z56953087

Chemical Property of N-Methyl-2-fluorobenzylamine

Chemical Property:

• Vapor Pressure: 1.4mmHg at 25°C
• Melting Point: 139-140 °C
• Refractive Index: n20/D 1.5010(lit.)
• Boiling Point: 73 °C12 mm Hg(lit.)
• PKA: 9.05±0.10(Predicted)
• Flash Point: 155 °F
• PSA: 12.03000
• Density: 1.047 g/mL at 25 °C(lit.)
• LogP: 1.93600
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 139.079727485
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

97% ^*data from raw suppliers

(2-Fluorobenzyl)methylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNCC1=CC=CC=C1F
• Recent ClinicalTrials: DS-9231 in Intermediate-risk (Sub-massive) Acute Pulmonary Embolism (PE)
• Uses: It is used as a pharmaceutical intermediate. Reactant for:Preparation of biologically and pharmacologically active molecules

Technology Process of N-Methyl-2-fluorobenzylamine

There total 10 articles about N-Methyl-2-fluorobenzylamine 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: 87.0%

o-fluorobenzyl bromide (446-48-0) + methylamine (74-89-5) → 1-(2-fluorophenyl)-N-methylmethanamine (399-30-4)

Guidance literature:

In tetrahydrofuran;

Reference yield: 86.0%

C9H9F4NO2S (1159505-77-7) → 1-(2-fluorophenyl)-N-methylmethanamine (399-30-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 10h; Reflux;

Reference yield:

methylamine hydrochloride (593-51-1) + 2-Fluorobenzaldehyde (446-52-6) → 1-(2-fluorophenyl)-N-methylmethanamine (399-30-4)

Guidance literature:

With titanium(IV) isopropylate; sodium tetrahydroborate; triethylamine; Yield given. Multistep reaction; 1.) EtOH, 25 deg C, 8 h, 2.) EtOH, 25 deg C, 7 h;

upstream raw materials:

o-fluorobenzyl bromide

methylamine

methylamine hydrochloride

2-Fluorobenzaldehyde

Downstream raw materials:

C₃₄H₄₃F₂N₃O₆

C₂₅H₂₄F₂N₂

C₂₆H₂₆F₂N₂

3-[[(2-fluorobenzyl)-methyl-amino]methyl]-5-(pyridin-4-yl)-1,3,4-oxadiazol-2(3H)-one