3,5-Difluoro-4-methoxybenzylamine

Base Information

• Chemical Name: 3,5-Difluoro-4-methoxybenzylamine
• CAS No.: 105969-16-2
• Molecular Formula: C8H9F2NO
• Molecular Weight: 173.162
• Hs Code.: 2922299090
• European Community (EC) Number: 679-007-1
• DSSTox Substance ID: DTXSID20562372
• Wikidata: Q72463269
• Mol file: 105969-16-2.mol

Synonyms:3,5-Difluoro-4-methoxybenzylamine;105969-16-2;(3,5-difluoro-4-methoxyphenyl)methanamine;1-(3,5-Difluoro-4-methoxyphenyl)methanamine;SCHEMBL855357;DTXSID20562372;MCQREBXBVNPGJZ-UHFFFAOYSA-N;MFCD04115915;AKOS015910426;JS-4270;AC-26272;CS-0449581;3,5-Difluoro-4-methoxybenzylamine, AldrichCPR;A801343

Chemical Property of 3,5-Difluoro-4-methoxybenzylamine

Chemical Property:

• Vapor Pressure: 0.0617mmHg at 25°C
• Refractive Index: 1.495
• Boiling Point: 231.6 °C at 760 mmHg
• Flash Point: 93.9 °C
• PSA: 35.25000
• Density: 1.22 g/cm³
• LogP: 2.13240
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 173.06522023
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

3,5-Difluoro-4-methoxybenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1F)CN)F

Technology Process of 3,5-Difluoro-4-methoxybenzylamine

There total 2 articles about 3,5-Difluoro-4-methoxybenzylamine 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: 98.0%

3,5-difluoro-4-methoxybenzonitrile (104197-15-1) → 3,5-Difluoro-4-methoxybenzylamine (105969-16-2)

Guidance literature:

With ammonia; hydrogen; nickel; In methanol; for 1.5h; under 2585.7 Torr;

DOI:10.1021/jm00164a051

Reference yield:

→ 3,5-Difluoro-4-methoxybenzylamine (105969-16-2)

Guidance literature:

Reference yield: 100.0%

3,5-Difluoro-4-methoxybenzylamine (105969-16-2) + 2-Chloronitrobenzene (88-73-3) → N-(3,5-difluoro-4-methoxybenzyl)-2-nitroaniline (105969-11-7)

Guidance literature:

With ammonium acetate; at 100 ℃; for 24h;

DOI:10.1021/jm00164a051

upstream raw materials:

3,5-difluoro-4-methoxybenzonitrile

Downstream raw materials:

3,5-difluoro-4-methoxybenzyl isothiocyanate

N-(3,5-difluoro-4-methoxybenzyl)-2-nitroaniline

4-(3,5-difluoro-4-hydroxybenzyl)-1,2,4-triazole-3-thione

1-(3,5-difluoro-4-hydroxybenzyl)benzimidazole-2-thione