3-Methyl-4-isopropylaniline hydrochloride

Base Information

• Chemical Name: 3-Methyl-4-isopropylaniline hydrochloride
• CAS No.: 4534-11-6
• Molecular Formula: C10H15 N . Cl H
• Molecular Weight: 185.697
• Hs Code.: 2921430090
• European Community (EC) Number: 224-876-0
• DSSTox Substance ID: DTXSID70196484
• Mol file: 4534-11-6.mol

Synonyms:3-Methyl-4-isopropylaniline hydrochloride;4534-11-6;4-Isopropyl-3-methylaniline hydrochloride;3-methyl-4-propan-2-ylaniline;hydrochloride;4-Isopropyl-m-toluidinium chloride;Benzenamine, 3-methyl-4-(1-methylethyl)-, hydrochloride;EINECS 224-876-0;3-METHYL-4-ISOPROPYLANILINEHYDROCHLORIDE;SCHEMBL3841513;DTXSID70196484;VPOAQDSAPBSOLW-UHFFFAOYSA-N;GS2728;MFCD00156562;4-Isopropyl-m-toluidine hydrochloride;Butyric acid, 2-nitro-, ethyl ester;AKOS005073483;MS-5000;3-METHYL-4-ISOPROPYLANILINE HCL;4-isopropyl-3-methylbenzenamine hydrochloride;FT-0635349;3-Methyl-4-(prop-2-yl)aniline hydrochloride;3-methyl-4-(propan-2-yl)aniline hydrochloride;J-515597;4-Isopropyl-3-methylaniline hydrochloride, AldrichCPR;Benzenamine, 3-?methyl-?4-?(1-?methylethyl)?-?, hydrochloride

Chemical Property of 3-Methyl-4-isopropylaniline hydrochloride

Chemical Property:

• Vapor Pressure: 0.0263mmHg at 25°C
• Melting Point: 223 °C
• Boiling Point: 247°Cat760mmHg
• Flash Point: 106°C
• PSA: 26.02000
• Density: g/cm³
• LogP: 4.08380
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Slightly soluble in water (9.9 g/L)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 185.0971272
• Heavy Atom Count: 12
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

4-Isopropyl-3-methylanilineHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)N)C(C)C.Cl
• Uses: 4-Isopropyl-3-methylaniline hydrochloride is used to synthesis of fine chemical, organic intermediates.

Technology Process of 3-Methyl-4-isopropylaniline hydrochloride

There total 2 articles about 3-Methyl-4-isopropylaniline 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: 42.0%

E-verbanone oxime (4514-88-9,28296-34-6,52610-69-2,139490-88-3) → 3-methyl-4-isopropylaniline hydrochloride (4534-11-6)

Guidance literature:

With hydrogenchloride; for 48h; Heating;

DOI:10.1007/BF00629825

Reference yield:

2-isopropyl-5-nitro-benzyl chloride (64123-64-4) → 3-methyl-4-isopropylaniline hydrochloride (4534-11-6)

Guidance literature:

With hydrogen; palladium; In ethanol;

Reference yield: 98.2%

5-bromo-3-pyridinecarboxylic acid (20826-04-4) + 3-methyl-4-isopropylaniline hydrochloride (4534-11-6) → 5-bromo-N-(4-isopropyl-3-methylphenyl)pyridine-3-carboxamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

E-verbanone oxime

2-isopropyl-5-nitro-benzyl chloride

Downstream raw materials:

N-Isopropyl-4,6-dinitro-o-Cymen-5-amine

2-chloro-N-(4-isopropyl-3-methylphenyl)nicotinamide

4-Isopropyl-3-methylaniline

Refernces

• 1、 -. "2,6-Dinitroaniline herbicides". . . Retrieved 2008/06/13.