2,3-Difluoro-6-methoxybenzylamine

Base Information

• Chemical Name: 2,3-Difluoro-6-methoxybenzylamine
• CAS No.: 886501-77-5
• Molecular Formula: C8H9F2NO
• Molecular Weight: 173.162
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID40402089
• Wikidata: Q82205452
• Mol file: 886501-77-5.mol

Synonyms:2,3-Difluoro-6-methoxybenzylamine;886501-77-5;(2,3-difluoro-6-methoxyphenyl)methanamine;SCHEMBL19667540;DTXSID40402089;MFCD04116022;AKOS015854395;JS-4355;CS-0322079;2,3-Difluoro-6-methoxybenzylamine, AldrichCPR;1-(2,3-DIFLUORO-6-METHOXYPHENYL)METHANAMINE

Chemical Property of 2,3-Difluoro-6-methoxybenzylamine

Chemical Property:

• Vapor Pressure: 0.153mmHg at 25°C
• Boiling Point: 214.8°C at 760 mmHg
• PKA: 8.46±0.10(Predicted)
• Flash Point: 83.7°C
• PSA: 35.25000
• Density: 1.22g/cm³
• LogP: 2.13240
• 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: 145

Purity/Quality:

98%Min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)F)F)CN

Technology Process of 2,3-Difluoro-6-methoxybenzylamine

There total 3 articles about 2,3-Difluoro-6-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%

(E)-2,3-difluoro-6-methoxybenzaldehyde oxime → (2,3-difluoro-6-methoxyphenyl)methanamine (886501-77-5)

Guidance literature:

With ammonium hydroxide; hydrogen; In methanol; at 20 ℃; for 16h;

Reference yield:

1,2-difluoro-4-methoxy-benzene (115144-40-6) → (2,3-difluoro-6-methoxyphenyl)methanamine (886501-77-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: lithium diisopropyl amide / tetrahydrofuran / 1 h / -70 °C / Inert atmosphere

1.2: 1 h / -70 °C

2.1: hydroxylamine hydrochloride; sodium hydroxide / methanol; water / 3 h / 20 °C

3.1: ammonium hydroxide; hydrogen / methanol / 16 h / 20 °C

With ammonium hydroxide; hydroxylamine hydrochloride; hydrogen; sodium hydroxide; lithium diisopropyl amide; In tetrahydrofuran; methanol; water;

Reference yield:

2,3-difluoro-6-methoxybenzaldehyde (187543-87-9) → (2,3-difluoro-6-methoxyphenyl)methanamine (886501-77-5)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride; sodium hydroxide / methanol; water / 3 h / 20 °C

2: ammonium hydroxide; hydrogen / methanol / 16 h / 20 °C

With ammonium hydroxide; hydroxylamine hydrochloride; hydrogen; sodium hydroxide; In methanol; water;

upstream raw materials:

1,2-difluoro-4-methoxy-benzene

2,3-difluoro-6-methoxybenzaldehyde

Downstream raw materials:

MRS 5231

(1R,2R,3S,4R,5S)-4-(2-chloro-6-(2,3-difluoro-6-methoxybenzylamino)-9H-purin-9-yl)-2',3'-O-(isopropylidene)-bicycle[3.1.0]hexane

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