2-Bromo-4'-methylpropiophenone

Base Information

• Chemical Name: 2-Bromo-4'-methylpropiophenone
• CAS No.: 1451-82-7
• Molecular Formula: C₁₀H₁₁BrO
• Molecular Weight: 227.101
• Hs Code.: 2914700090
• European Community (EC) Number: 696-162-0
• UNII: V3ZPM7TKH9
• DSSTox Substance ID: DTXSID10370105
• Nikkaji Number: J1.379.540A
• Mol file: 1451-82-7.mol

Synonyms:1451-82-7;2-BROMO-4'-METHYLPROPIOPHENONE;2-Bromo-1-(p-tolyl)propan-1-one;2-bromo-1-(4-methylphenyl)propan-1-one;1-Propanone, 2-bromo-1-(4-methylphenyl)-;2-bromo-1-(4-methylphenyl)-1-Propanone;MFCD11131402;1-(4-methylphenyl)-1-oxo-2-bromopropane;2-bromo-1-p-tolylpropan-1-one;V3ZPM7TKH9;2-Bromo-p-methylpropiophenone;SCHEMBL633160;2-Bromo-4\'-Methylpropiophenone;alpha-Bromo-4-methylpropiophenone;DTXSID10370105;OZLUPIIIHOOPNQ-UHFFFAOYSA-N;2-Bromo-1-p-tolyl-propan-1-one;4'-Methyl-alpha-bromopropiophenone;4-Methylphenyl 1-bromoethyl ketone;AKOS000210898;AKOS016344665;DS-3156;SY040622;A3150;AM20020502;B4781;BB 0262803;CS-0102565;FT-0663799;J-008066;2-Bromo-1-(4-methylphenyl)-1-propanone, AldrichCPR;2-Bromo-4 inverted exclamation mark -methylpropiophenone;F9995-0106

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of 2-Bromo-4'-methylpropiophenone

Chemical Property:

• Appearance/Colour: Off-white solid
• Melting Point: 75-77 °C
• Boiling Point: 273.205 °C at 760 mmHg
• Flash Point: 58.628 °C
• PSA: 17.07000
• Density: 1.357 g/cm³
• LogP: 2.96110
• Storage Temp.: Refrigerator
• Solubility.: Soluble in chloroform and methanol.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 225.99933
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C(C)Br
• Description: It is usually used as the intermediate and raw material in the fine chemistry industry. Specifically, this chemical can act as the intermediate in the synthesis of 4-methyl methcathinone HCl, which is used as the sample for development and validation of a presumptive colour spot test method for the detection of piperazine analogues in seized illicit materials.1 Moreover, this compound may function as an effective ingredient to prepare the therapeutically useful 1-phenyl-2-piperidinoalkanol derivatives.2 In addition, this substance has been demonstrated to be involved in the preparation of a pharmaceutical composition comprising a pyrrole derivative, which shows a desirable activity for the treatment pollakiuria or urinary incontinence.3
• Uses: 2-Bromo-4'-methylpropiophenone (cas# 1451-82-7) is a compound useful in organic synthesis. It employed as an important intermediate for raw material for organic synthesis, agrochemical, pharmaceutical and dyestuff field. Also used as intermediate for 4-methylmethcathinone.

Technology Process of 2-Bromo-4'-methylpropiophenone

There total 13 articles about 2-Bromo-4'-methylpropiophenone 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: 99.0%

→ 2-bromo-4'-methylpropiophenone (92821-88-0,1451-82-7)

Guidance literature:

Reference yield: 96.0%

4'-methylpropiophenone (5337-93-9) → 2-bromo-4'-methylpropiophenone (92821-88-0,1451-82-7)

Guidance literature:

With aluminum (III) chloride; bromine; In diethyl ether; at 0 ℃;

DOI:10.1111/bph.13547

Reference yield: 93.0%

(Z)-1-(4-methylphenyl)-1-bromopropene → 2-bromo-4'-methylpropiophenone (92821-88-0,1451-82-7)

Guidance literature:

With [hydroxy(tosyloxy)iodo]benzene; toluene-4-sulfonic acid; In acetonitrile; at 20 ℃; for 120h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b03345

upstream raw materials:

4'-methylpropiophenone

α-bromopropionyl bromide

toluene

bromine

Downstream raw materials:

2-(1-bromoethyl)-2-(p-tolyl)-1,3-dioxolane

(+/-)-1-Isopropylamino-1-<4-methyl-benzoyl>-aethan

3,4-dimethyl-2,5-di-p-tolylfuran

2,3-dimethyl-1,4-di(p-tolyl)-1,4-butanedione

Refernces

• 1、 Blough, Bruce E.,Gannon, Brenda M.,Holy, Marion,Maier, Julian,Murnane, Kevin S.,Niello, Marco,Rauter, Laurin,Rudin, Deborah,Schmid, Diethart,Sitte, Harald H.,Wilson, Joseph. "α-PPP and its derivatives are selective partial releasers at the human norepinephrine transporter: A pharmacological characterization of interactions between pyrrolidinopropiophenones and uptake1 and uptake2 monoamine transporters". . . Retrieved 2021/05/04.
• 2、 Guo, Chang-Qiu,Liu, Ren-Rong,Lu, Chuan-Jun,Wang, Xiao-Mei,Xu, Qi,Zhang, De-Bing,Zhang, Peng. "Enantioselective Synthesis of Nitrogen-Nitrogen Biaryl Atropisomers via Copper-Catalyzed Friedel-Crafts Alkylation Reaction". supporting information. p. 15005 - 15010. Retrieved 2021/09/30.