2-Bromo-3'-chloropropiophenone

Base Information

• Chemical Name: 2-Bromo-3'-chloropropiophenone
• CAS No.: 34911-51-8
• Molecular Formula: C9H8BrClO
• Molecular Weight: 247.519
• Hs Code.: 2914790000
• European Community (EC) Number: 252-282-1
• UNII: 3OP1CI6QQX
• DSSTox Substance ID: DTXSID10956382
• Nikkaji Number: J289.863B
• Mol file: 34911-51-8.mol

Synonyms:34911-51-8;2-Bromo-3'-chloropropiophenone;2-bromo-1-(3-chlorophenyl)propan-1-one;2-Bromo-1-(3-chlorophenyl)-1-propanone;3'-CHLORO-2-BROMOPROPIOPHENONE;3OP1CI6QQX;1-Propanone, 2-bromo-1-(3-chlorophenyl)-;EINECS 252-282-1;UNII-3OP1CI6QQX;2-bromo-1-(3-chloro-phenyl)-propan-1-one;MFCD03701150;ALPHA-BROMO-3-CHLOROPROPIOPHENONE;1-Propanone,2-bromo-1-(3-chlorophenyl)-;bromo-3'-chloropropiophenone;SCHEMBL633225;BROMOCHLOROPROPIO PHENONE;3'-Chloro-?-bromopropiophenone;m-chloro-alpha-bromopropiophenone;3'-chloro-2-bromo-propiophenone;DTXSID10956382;OFNMQTRHMBQQEA-UHFFFAOYSA-N;alpha-bromo-3'chloro propiophenone;AC1538;2-BROMO-3-CHLOROPROPIOPHENONE;AKOS000210949;AKOS017269060;AB15749;AS-0006;CS-W004079;SY104235;.ALPHA.-BROMO-M-CHLOROPROPIOPHENONE;.ALPHA.-BROMO-3-CHLOROPROPIOPHENONE;AM20040250;FT-0639220;NS00054802;EN300-07111;A24700;BROMOCHLOROPROPIO PHENONE [USP IMPURITY];J-019802;J-508146;2-Bromo-1-(3-chlorophenyl)-1-propanone, AldrichCPR;Z56946912;2-Bromo-3 inverted exclamation mark -chloropropiophenone;2-Bromo-1-(3-chlorophenyl)propan-1-one (2-Bromo-3'-chloropropiophenone)

Chemical Property of 2-Bromo-3'-chloropropiophenone

Chemical Property:

• Appearance/Colour: Yellow to brown colored liquid
• Refractive Index: 1.5770
• Boiling Point: 295 °C at 760 mmHg
• Flash Point: 132.2 °C
• PSA: 17.07000
• Density: 1.518 g/cm³
• LogP: 3.30610
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: Soluble in acetonitrile, chloroform, dichloromethane and ethyl a
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 245.94471
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99%, ^*data from raw suppliers

3’-Chloro-2-bromopropiophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)C1=CC(=CC=C1)Cl)Br
• Uses: It used as an important intermediate for raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.

Technology Process of 2-Bromo-3'-chloropropiophenone

There total 8 articles about 2-Bromo-3'-chloropropiophenone 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: 100.0%

3'-chloro-propiophenone (34841-35-5) → 2-bromo-3'-chloropropiophenone (34911-51-8)

Guidance literature:

With bromine; at 20 ℃; for 0.333333h;

DOI:10.1021/jm0211117

Reference yield: 79.0%

β-methyl-3-chlorostyrene (26293-11-8) → 2-bromo-3'-chloropropiophenone (34911-51-8)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; water; at 60 ℃; for 2h; Green chemistry;

DOI:10.1039/c6ob02200f

Reference yield:

3'-nitropropiophenone (17408-16-1) → 2-bromo-3'-chloropropiophenone (34911-51-8)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Pd-C / ethanol

2: NaNO₂, Cu₂Cl₂, HCl

3: Br₂, AcOH

With copper(I) chloride; hydrogenchloride; hydrogen; bromine; acetic acid; sodium nitrite; palladium on activated charcoal; In ethanol;

DOI:10.1021/ja01058a028

upstream raw materials:

3'-chloro-propiophenone

3'-nitropropiophenone

1-(3-amino-phenyl)-propan-1-one

1-phenyl-propan-1-one

Downstream raw materials:

BUPROPION HYDROCHLORIDE

3‐chloromethcathinone

2-<3-Chlor-anilino>-1-<3-chlor-phenyl>-propanon-(1)

(R)-Bupropion hydrochloride

Refernces

• 1、 Da Silva Gomes, Roberto,Corey. "A Method for the Catalytic Enantioselective Synthesis of Chiral α-Azido and α-Amino Ketones from Racemic α-Bromo Ketones, and Its Generalization to the Formation of Bonds to C, O, and S". supporting information. p. 20058 - 20061. Retrieved 2019/12/27.
• 2、 Moon, Da Yoon,An, Sejin,Park, Bong Ser. "Synthesis of α,β-dibromo ketones by photolysis of α-bromo ketones with N-bromosuccinimide: Photoinduced β-bromination of α-bromo ketones". . . Retrieved 2019/10/28.