1-(4-Chlorophenyl)propan-1-amine

Base Information

• Chemical Name: 1-(4-Chlorophenyl)propan-1-amine
• CAS No.: 74788-46-8
• Molecular Formula: C₉H₁₂ClN
• Molecular Weight: 169.654
• Hs Code.: 2921490090
• European Community (EC) Number: 837-804-3
• DSSTox Substance ID: DTXSID70504686
• Nikkaji Number: J2.483.690H
• Mol file: 74788-46-8.mol

Synonyms:1-(4-chlorophenyl)propan-1-amine;74788-46-8;MFCD08691240;MFCD06762016;SCHEMBL390989;DTXSID70504686;JAVXFKQNRRUYMG-UHFFFAOYSA-N;1-(4-Chlorophenyl)-1-propanamine;MFCD06762017;AKOS000264535;AKOS016345324;AB90906;SB44400;(R)-1-(4-Chlorophenyl)-1-propanamine;(S)-1-(4-Chlorophenyl)-1-propanamine;SY168224;SY342618;SY343080;VS-06537;CS-0152618;EN300-26199;I11174;Z221421644

Chemical Property of 1-(4-Chlorophenyl)propan-1-amine

Chemical Property:

• Vapor Pressure: 0.031mmHg at 25°C
• Melting Point: 67-68 °C
• Boiling Point: 118-120 °C(Press: 15 Torr)
• PKA: 9.13±0.10(Predicted)
• Density: 1.093±0.06 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 169.0658271
• Heavy Atom Count: 11
• Complexity: 108

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Chlorophenyl)propan-1-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC=C(C=C1)Cl)N

Technology Process of 1-(4-Chlorophenyl)propan-1-amine

There total 6 articles about 1-(4-Chlorophenyl)propan-1-amine 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: 95.0%

→ 1-(4-chlorophenyl)propan-1-amine (74788-46-8,114853-62-2)

Guidance literature:

With {RuCl(p-cymene)((S)-2,2'-bis(di-p-tolylphosphino)-1,1'-binaphthyl)}Cl; ammonia; hydrogen; ammonium chloride; In methanol; water; at 90 ℃; for 48h; under 30003 Torr; Autoclave; Inert atmosphere;

Reference yield: 52.0%

4'-chloropropiophenone (6285-05-8) → 1-(4-chlorophenyl)propan-1-amine (74788-46-8,114853-62-2)

Guidance literature:

4'-chloropropiophenone; With titanium(IV) isopropylate; ammonia; In isopropyl alcohol; at 20 ℃;

With sodium tetrahydroborate; In isopropyl alcohol; at 20 ℃; for 2h;

DOI:10.1002/chir.22856

Reference yield:

1-(4-chlorophenyl)-N-hydroxypropan-1-imine (56962-09-5) → 1-(4-chlorophenyl)propan-1-amine (74788-46-8,114853-62-2)

Guidance literature:

With thiophene; ammonia; hydrogen; RaNi; In methanol;

DOI:10.1016/j.bmcl.2004.11.064

upstream raw materials:

4'-chloropropiophenone

ammonium formate

ethylmagnesium bromide

N-(4-chlorobenzylidene)-N-(1,1,1-trimethylsilyl)amine

Downstream raw materials:

3-[1-(4-Chloro-phenyl)-propyl]-1-(2-hydroxy-ethyl)-1-methyl-thiourea

(Z)-3-[1-(4-Chloro-phenyl)-propylamino]-but-2-enoic acid methylamide

4-amino-N-(1-(4-chlorophenyl)propyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

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