(R)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride

Base Information

• Chemical Name: (R)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride
• CAS No.: 1100575-44-7
• Molecular Formula: C8H10Cl2FN
• Molecular Weight: 210.0761032
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID90704247
• Mol file: 1100575-44-7.mol

Synonyms:1391497-31-6;(R)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride;(R)-1-(2-Chloro-6-fluorophenyl)ethanamine HCl;(1R)-1-(2-chloro-6-fluorophenyl)ethanamine;hydrochloride;DTXSID90704247;PUBRSCIMJQYMNY-NUBCRITNSA-N;MFCD12757993;AKOS015923251;DS-4741;CS-0132668;Y10460;A886131;(R)-1-(2-Chloro-6-fluorophenyl)ethanaminehydrochloride;(R)-1-(2-Chloro-6-fluorophenyl)ethan-1-amine hydrochloride;(1R)-1-(2-Chloro-6-fluorophenyl)ethan-1-amine--hydrogen chloride (1/1);Benzenemethanamine, 2-chloro-6-fluoro-alpha-methyl-, hydrochloride (1:1), (alphaR)-

Chemical Property of (R)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride

Chemical Property:

• Boiling Point: 208.2±25.0 °C(Predicted)
• PKA: 8.07±0.10(Predicted)
• PSA: 26.02000
• Density: 1 +-.0.06 g/cm3(Predicted)
• LogP: 4.00110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.0174329
• Heavy Atom Count: 12
• Complexity: 131

Purity/Quality:

98% ^*data from raw suppliers

(R)-1-(2-Chloro-6-fluorophenyl)ethanamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=C(C=CC=C1Cl)F)N.Cl
• Isomeric SMILES: C[C@H](C1=C(C=CC=C1Cl)F)N.Cl

Technology Process of (R)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride

There total 4 articles about (R)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride 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: 50.0%

C16H11ClFNO2 → 1-(2-chloro-6-fluorophenyl)ethan-1-amine (1000922-53-1,1100575-44-7,1000878-44-3)

Guidance literature:

With hydrazine hydrate; In tetrahydrofuran; ethanol; for 11h; Heating;

DOI:10.1016/j.bmcl.2007.10.024

Reference yield: 36.0%

1-(2-fluorophenyl)ethanamine (74788-44-6,185545-90-8) → 1-(2-chloro-6-fluorophenyl)ethan-1-amine (1000922-53-1,1100575-44-7,1000878-44-3)

Guidance literature:

With copper diacetate; palladium diacetate; copper dichloride; In acetic acid; at 100 ℃; for 14h;

DOI:10.1055/a-1625-9095

Reference yield: 29.0%

1-(2-chloro-6-fluorophenyl)ethan-1-ol (87327-70-6,1344919-58-9) → 1-(2-chloro-6-fluorophenyl)ethan-1-amine (1000922-53-1,1100575-44-7,1000878-44-3)

Guidance literature:

1-(2-chloro-6-fluorophenyl)ethan-1-ol; With phthalimide; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 0 - 20 ℃; for 3h; Inert atmosphere;

With hydrazine hydrate; In tetrahydrofuran; ethanol; at 66 ℃; for 2h;

DOI:10.1021/op4003104

upstream raw materials:

1-(2-chloro-6-fluorophenyl)ethan-1-one

1-(2-chloro-6-fluorophenyl)ethan-1-ol

1-(2-fluorophenyl)ethanamine

Refernces

• 1、 Paul, Caroline E.,Rodriguez-Mata, Maria,Busto, Eduardo,Lavandera, Ivan,Gotor-Fernandez, Vicente,Gotor, Vicente,Garcia-Cerrada, Susana,Mendiola, Javier,De Frutos, Oscar,Collado, Ivan. "Transaminases applied to the synthesis of high added-value enantiopure amines". . p. 788 - 792. Retrieved 2014/07/08.