2,6-Difluoro-3,5-dimethoxyaniline

Base Information

• Chemical Name: 2,6-Difluoro-3,5-dimethoxyaniline
• CAS No.: 651734-54-2
• Molecular Formula: C8H9F2NO2
• Molecular Weight: 189.162
• Hs Code.: 2922190090
• DSSTox Substance ID: DTXSID90437467
• Wikidata: Q82252960
• Mol file: 651734-54-2.mol

Synonyms:2,6-DIFLUORO-3,5-DIMETHOXYANILINE;651734-54-2;MFCD12973804;2,6-difluoro-3,5-diMethoxybenzenaMine;2,6-Difluoro-3,5-dimethoxyphenylamine;SCHEMBL1822586;DTXSID90437467;SUXITUVUFUOAGT-UHFFFAOYSA-N;BBB73454;BCP31896;AKOS025402608;CS-W005951;2,6-difluoro-3,5-dimethoxybenzeneamine;2,6-Difluoro-3,5-dimethoxy-phenylamine;2,6-difluoro-3,5-dimethoxybenzene amine;AM806119;AS-54780;SY108862;W10058;A848507

Chemical Property of 2,6-Difluoro-3,5-dimethoxyaniline

Chemical Property:

• Boiling Point: 301.0±37.0 °C(Predicted)
• PKA: 0.97±0.10(Predicted)
• PSA: 44.48000
• Density: 1.276±0.06 g/cm3(Predicted)
• LogP: 2.14540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 189.06013485
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

97%, ^*data from raw suppliers

2,6-Difluoro-3,5-dimethoxyaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1F)N)F)OC

Technology Process of 2,6-Difluoro-3,5-dimethoxyaniline

There total 10 articles about 2,6-Difluoro-3,5-dimethoxyaniline 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%

tert-butyl (2,6-difluoro-3,5-dimethoxyphenyl)carbamate (651734-57-5) → 2,6-difluoro-3,5-dimethoxybenzeneamine (651734-54-2)

Guidance literature:

tert-butyl (2,6-difluoro-3,5-dimethoxyphenyl)carbamate; With trifluoroacetic acid; at 20 ℃; for 0.5h;

With sodium hydrogencarbonate; In water; pH=8;

Reference yield: 93.0%

n-benzyl-2,6-difluoro-3,5-dimethoxyaniline → 2,6-difluoro-3,5-dimethoxybenzeneamine (651734-54-2)

Guidance literature:

n-benzyl-2,6-difluoro-3,5-dimethoxyaniline; With palladium on activated charcoal; ammonium formate; acetic acid; In ethanol; at 50 ℃; Large scale;

With pyrographite; In tert-butyl methyl ether; for 3h; Reflux; Large scale;

Reference yield: 51.0%

2,6-difluoro-3,5-dimethoxybenzoic acid (651734-56-4) → 2,6-difluoro-3,5-dimethoxybenzeneamine (651734-54-2)

Guidance literature:

2,6-difluoro-3,5-dimethoxybenzoic acid; With diphenyl phosphoryl azide; triethylamine; tert-butyl alcohol; at 82 ℃; for 0.0833333h;

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

upstream raw materials:

tert-butyl (2,6-difluoro-3,5-dimethoxyphenyl)carbamate

methyl 3,5-dimethoxybenzoate

methyl 2,6-difluoro-3,5-dimethoxybenzoate

2,6-difluoro-3,5-dimethoxybenzoic acid

Downstream raw materials:

3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3’,2’:5,6]pyrido[4,3-d]pyrimidin-2-one

cyclopropyl-(5-[(2,6-difluoro-3,5-dimethoxy-phenylimino)-methyl]-2-methylsulfanyl-pyrimidin-4-yl)-amine

C₁₄H₁₄F₂N₄O₂S

Refernces

• 1、 -. "SOLID FORMS OF AN FGFR INHIBITOR AND PROCESSES FOR PREPARING THE SAME". Page/Page column 92; 94. . Retrieved 2019/11/19.
• 2、 -. "Heterocyclic compound as FGFR inhibitor, synthesis method and applications thereof". Paragraph 0114; 0129-0132. . Retrieved 2019/10/01.