(S)-1-(2-Chlorophenyl)ethanamine

Base Information

• Chemical Name: (S)-1-(2-Chlorophenyl)ethanamine
• CAS No.: 68285-26-7
• Molecular Formula: C8H10ClN
• Molecular Weight: 155.627
• European Community (EC) Number: 831-114-6
• DSSTox Substance ID: DTXSID601276060
• Nikkaji Number: J274.234I
• Mol file: 68285-26-7.mol

Synonyms:(S)-1-(2-Chlorophenyl)ethanamine;68285-26-7;(1S)-1-(2-chlorophenyl)ethan-1-amine;(1S)-1-(2-chlorophenyl)ethanamine;(S)-1-(2-chlorophenyl)ethan-1-amine;(AlphaS)-2-chloro-alpha-methylbenzenemethanamine;SCHEMBL9985739;DTXSID601276060;MFCD06761892;SC1353;(S)-1-(2-chloro-phenyl)-ethylamine;AKOS010367118;BS-13297;CS-0000283;Benzenemethanamine, 2-chloro--methyl-, (S)-;EN300-53086;A867077;J-501754;BENZENEMETHANAMINE, 2-CHLORO-A-METHYL-, (AS)-;Z360055190

Chemical Property of (S)-1-(2-Chlorophenyl)ethanamine

Chemical Property:

• Boiling Point: 217.4 °C at 760 mmHg
• PKA: 8.50±0.10(Predicted)
• Flash Point: 93.3 °C
• PSA: 26.02000
• Density: 1.122 g/cm³
• LogP: 3.06000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.0501770
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

98% ^*data from raw suppliers

(S)-1-(2-Chlorophenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-1-(2-Chlorophenyl)ethanamine

There total 27 articles about (S)-1-(2-Chlorophenyl)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: 93.0%

1-(2-chlorophenyl)ethanone (2142-68-9) → (R)-α-(o-chlorophenyl)ethylamine (39959-67-6,68285-26-7,127852-23-7,127733-42-0)

Guidance literature:

With pyridoxal 5'-phosphate; transaminase ATA-025; isopropylamine; In aq. phosphate buffer; acetonitrile; at 30 ℃; for 24h; pH=7.5; Solvent; stereoselective reaction; Enzymatic reaction;

DOI:10.1039/c6gc01981a

Reference yield: 88.0%

2'-chloro-sec-phenethyl alcohol (13524-04-4) → 1-(2-Chloro-phenyl)-ethylamine (39959-67-6,68285-26-7,127733-42-0,127852-23-7)

Guidance literature:

With ammonium hydroxide; C₁₅H₂₉IrN₄⁽²⁺⁾*2I^(1-); at 150 ℃; for 40h; Sealed tube;

DOI:10.1002/cctc.201702037

Reference yield: 86.0%

N-((R)-1-(2-chlorophenyl)ethyl)-2-methylpropane-2-sulfinamide → (R)-α-(o-chlorophenyl)ethylamine (39959-67-6,68285-26-7,127852-23-7,127733-42-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; at 20 ℃; for 1h; Inert atmosphere;

upstream raw materials:

1-(2-chlorophenyl)ethanone

N-[1-(2-chloro-phenyl)-ethyl]-formamide

2'-chloro-sec-phenethyl alcohol

1-(2-Chloro-phenyl)-ethylamine

Downstream raw materials:

(S)-N-<1-(2-Chlorophenyl)ethyl>-2-(3,4-dimethoxyphenyl)acetamide

(R)-α-(o-chlorophenyl)ethylamine

2-{[(E)-(R)-1-(2-Chloro-phenyl)-ethylimino]-methyl}-phenol

Refernces

• 1、 Chand-Thakuri, Pratibha,Landge, Vinod G.,Kapoor, Mohit,Young, Michael C.. "One-Pot C-H Arylation/Lactamization Cascade Reaction of Free Benzylamines". . p. 6626 - 6644. Retrieved 2020/07/14.
• 2、 Kapoor, Mohit,Chand-Thakuri, Pratibha,Young, Michael C.. "Carbon Dioxide-Mediated C(sp2)-H Arylation of Primary and Secondary Benzylamines". supporting information. p. 7980 - 7989. Retrieved 2019/05/22.