(S)-1-(4-Chlorophenyl)ethanamine hydrochloride

Base Information

• Chemical Name: (S)-1-(4-Chlorophenyl)ethanamine hydrochloride
• CAS No.: 56782-68-4
• Molecular Formula: C8H11Cl2N
• Molecular Weight: 192.088
• European Community (EC) Number: 878-065-7
• DSSTox Substance ID: DTXSID70704169
• Mol file: 56782-68-4.mol

Synonyms:56782-68-4;(S)-1-(4-Chlorophenyl)ethanamine hydrochloride;(S)-(-)-1-(4-CHLOROPHENYL)ETHYLAMINE-HCl;(S)-(-)-1-(4-CHLOROPHENYL)ETHYLAMINE HCL;(1S)-1-(4-chlorophenyl)ethanamine;hydrochloride;(1S)-1-(4-chlorophenyl)ethan-1-amine hydrochloride;(s)-(-)-1-(4-chlorophenyl)ethylamine hydrochloride;DTXSID70704169;MFCD12756979;AKOS015923161;AKOS016002922;(S)-1-(4-chlorophenyl)ethylamine HCl;(1S)-1-(4-Chlorophenyl)ethanamine HCl;AS-55154;CS-0158260;EN300-253385;Y10272;A869848;(1S)-1-(4-Chlorophenyl)ethan-1-amine--hydrogen chloride (1/1)

Chemical Property of (S)-1-(4-Chlorophenyl)ethanamine hydrochloride

Chemical Property:

• PSA: 26.02000
• LogP: 3.86200
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 191.0268547
• Heavy Atom Count: 11
• Complexity: 97.4

Purity/Quality:

99%, ^*data from raw suppliers

(S)-1-(4-Chlorophenyl)ethanaminehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-1-(4-Chlorophenyl)ethanamine hydrochloride

There total 4 articles about (S)-1-(4-Chlorophenyl)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: 88.0%

C8H8ClN*ClH (1164111-41-4) → (S)-α-(p-chlorophenyl)ethylamine hydrochloride (56782-68-4,1167414-87-0)

Guidance literature:

With 2,6-bis(3,5-bis(3,7-bis(trifluoromethyl)naphthalen-1-yl)phenyl)-4H-dinaphtho[2,1-d:1',2'-f][1,3,2]dithiazepine 3,3,5,5-tetraoxide; di-tert-butyl 1,4-dihydro-2,6-dimethyl-3,5-pyridine-dicarboxylate; In tert-butyl methyl ether; methyl cyclohexane; at 20 ℃; for 24h; enantioselective reaction; Inert atmosphere; Molecular sieve;

DOI:10.1055/s-0040-1706413

Reference yield:

(S)-1-(p-chlorophenyl)ethylamine (4187-56-8) → (S)-α-(p-chlorophenyl)ethylamine hydrochloride (56782-68-4,1167414-87-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. phosphate buffer / pH 7.5

2: sodium hydroxide / water; tert-butyl methyl ether

With sodium hydroxide; In aq. phosphate buffer; tert-butyl methyl ether; water;

DOI:10.1002/ejoc.201800323

Reference yield:

C8H10ClN*C15H14O2 → (S)-α-(p-chlorophenyl)ethylamine hydrochloride (56782-68-4,1167414-87-0)

Guidance literature:

C₈H₁₀ClN*C₁₅H₁₄O₂; With sodium hydroxide; In tert-butyl methyl ether; water;

With hydrogenchloride; In water;

DOI:10.1002/ejoc.201800323

upstream raw materials:

C₈H₈ClN*ClH

para-chloroacetophenone

(S)-1-(p-chlorophenyl)ethylamine

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