Benzeneethanamine, 4-(1-methylethyl)-, hydrochloride

Base Information

• Chemical Name: Benzeneethanamine, 4-(1-methylethyl)-, hydrochloride
• CAS No.: 61035-87-8
• Molecular Formula: C11H17 N . Cl H
• Molecular Weight: 199.724
• Hs Code.: 2921499090
• European Community (EC) Number: 625-321-9
• NSC Number: 26221
• DSSTox Substance ID: DTXSID80209913
• Mol file: 61035-87-8.mol

Synonyms:61035-87-8;4-Isopropylphenethylamine hydrochloride;Benzeneethanamine, 4-(1-methylethyl)-, hydrochloride;p-Isopropylphenethylamine hydrochloride;2-(4-propan-2-ylphenyl)ethanamine;hydrochloride;4-(1-Methylethyl)benzeneethanamine hydrochloride;2-[4-(1-methylethyl)phenyl]ethanamine hydrochloride;SCHEMBL1923123;DTXSID80209913;NWRYIWFBCRAGSR-UHFFFAOYSA-N;NSC26221;4-ISOPROPYLPHENETHYLAMINE HCL;NSC 26221;NSC-26221;AKOS015958707;AS-81452;LS-30204;2-(4-(1-methylethyl)phenyl)ethanamine hcl;4-Isopropylphenethylamine hydrochloride, 97%;2-(4-isopropylphenyl)ethanamine hydrochloride

Chemical Property of Benzeneethanamine, 4-(1-methylethyl)-, hydrochloride

Chemical Property:

• Vapor Pressure: 0.0253mmHg at 25°C
• Melting Point: 167-172 °C
• Boiling Point: 247.7°C at 760 mmHg
• Flash Point: 108.6°C
• PSA: 26.02000
• Density: 0.927g/cm3
• LogP: 3.81350
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 199.1127773
• Heavy Atom Count: 13
• Complexity: 112

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Isopropylphenethylamine hydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)CCN.Cl

Technology Process of Benzeneethanamine, 4-(1-methylethyl)-, hydrochloride

There total 2 articles about Benzeneethanamine, 4-(1-methylethyl)-, 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: 89.0%

C13H19NO2 → 2-(4-isopropylphenyl)ethanamine hydrochloride (61035-87-8)

Guidance literature:

With hydrogenchloride; acetic acid; In water; for 24h; Reflux;

Reference yield: 35.0%

(4-isopropylphenyl)acetonitrile (4395-87-3) → 2-(4-isopropylphenyl)ethanamine hydrochloride (61035-87-8)

Guidance literature:

(4-isopropylphenyl)acetonitrile; With lithium aluminium tetrahydride; In diethyl ether; at 0 ℃; for 1h; Heating / reflux;

With water; ammonium chloride; In diethyl ether; at 0 ℃;

With hydrogenchloride; In methanol; at 20 ℃; for 0.583333h;

Reference yield: 80.0%

thiophosgene (463-71-8) + 2-(4-isopropylphenyl)ethanamine hydrochloride (61035-87-8) → C12H15NS

Guidance literature:

With sodium hydroxide; In dichloromethane; water; at 0 - 20 ℃; for 20h;

upstream raw materials:

(4-isopropylphenyl)acetonitrile

Downstream raw materials:

methyl 3-[3-((2-[4-(1-methylethyl)phenyl]ethyl)amino)-3-oxopropyl]-1-phenyl-1H-indole-5-carboxylate

Refernces

• 1、 -. "INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS". Page/Page column 84-85. . Retrieved 2009/05/30.
• 2、 -. "5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF". Page 18. . Retrieved 2010/02/07.