(S)-1-(2,4-Dichlorophenyl)ethanamine

Base Information

• Chemical Name: (S)-1-(2,4-Dichlorophenyl)ethanamine
• CAS No.: 133492-69-0
• Molecular Formula: C8H9 Cl2 N
• Molecular Weight: 190.072
• Hs Code.: 2921490090
• DSSTox Substance ID: DTXSID40368818
• Nikkaji Number: J1.646.462G
• Mol file: 133492-69-0.mol

Synonyms:(S)-1-(2,4-Dichlorophenyl)ethanamine;133492-69-0;(1S)-1-(2,4-dichlorophenyl)ethanamine;Benzenemethanamine,2,4-dichloro-a-methyl-,(S)-;(1S)-1-(2,4-dichlorophenyl)ethan-1-amine;(S)-2,4-Dichloro-a-methyl-benzenemethanamine;SCHEMBL5492924;DTXSID40368818;AMY21691;MFCD06761787;AKOS016843428;BS-48799;EN300-87772;A888081;Benzenemethanamine, 2,4-dichloro--methyl-, (S)-;Benzenemethanamine,2,4-dichloro-a-methyl-,(aS)-

Chemical Property of (S)-1-(2,4-Dichlorophenyl)ethanamine

Chemical Property:

• Boiling Point: 256.4±25.0 °C(Predicted)
• PKA: 8.28±0.10(Predicted)
• PSA: 26.02000
• Density: 1.262±0.06 g/cm3(Predicted)
• LogP: 3.71340
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 189.0112047
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

98% ^*data from raw suppliers

(S)-1-(2,4-Dichlorophenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-1-(2,4-Dichlorophenyl)ethanamine

There total 3 articles about (S)-1-(2,4-Dichlorophenyl)ethanamine 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:

1-(2',4'-dichlorophenyl)ethylamine (89981-75-9) → 2,6-dichlorophenylethylamine (133492-69-0) + (R)-2,4-dichloro-α-methylbenzylamine (133773-29-2)

Guidance literature:

With chiral stationary phase including isopropyl-functionalized CF₆; In methanol; acetic acid; triethylamine; acetonitrile; at 20 ℃; Purification / work up;

Reference yield:

isopropyl methoxyacetate (17640-21-0) + 1-(2',4'-dichlorophenyl)ethylamine (89981-75-9) → N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyacetamide + 2,6-dichlorophenylethylamine (133492-69-0)

Guidance literature:

With Candida antacrtica lipase B; at 20 ℃; optical yield given as %ee; Enzymatic reaction;

DOI:10.1055/s-2008-1078451

Reference yield:

→ 2,6-dichlorophenylethylamine (133492-69-0)

Guidance literature:

upstream raw materials:

isopropyl methoxyacetate

1-(2',4'-dichlorophenyl)ethylamine

Downstream raw materials:

(S)-1-(2,4-dichlorophenyl)ethylammonium (R)-2-hydroxy-3-methoxy-3,3-diphenylpropionate

Refernces

• 1、 Ditrich, Klaus. "Optically active amines by enzyme-catalyzed kinetic resolution". experimental part. p. 2283 - 2287. Retrieved 2009/04/06.
• 2、 -. "N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor". . . Retrieved 2008/06/13.