1-Bromo-1-phenylpropan-2-one

Base Information

• Chemical Name: 1-Bromo-1-phenylpropan-2-one
• CAS No.: 23022-83-5
• Deprecated CAS: 160189-81-1
• Molecular Formula: C9H9BrO
• Molecular Weight: 213.074
• Hs Code.: 2914700090
• European Community (EC) Number: 844-890-6
• DSSTox Substance ID: DTXSID10885224
• Nikkaji Number: J403.375B
• Mol file: 23022-83-5.mol

Synonyms:23022-83-5;1-bromo-1-phenylpropan-2-one;1-bromo-1-phenylacetone;1-Bromo-1-phenyl-2-propanone;1-bromo-1-phenyl-propan-2-one;2-Propanone, 1-bromo-1-phenyl-;bromophenylacetone;Bromo-3-phenylacetone;1-bromo-1-phenyl-acetone;SCHEMBL2573939;DTXSID10885224;1-bromanyl-1-phenyl-propan-2-one;MFCD06658524;AKOS015841086;AM84807;SB35639;AS-30417;FT-0659885;EN300-251332;A816493;W-206802;F2185-0489

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Chemical Property of 1-Bromo-1-phenylpropan-2-one

Chemical Property:

• Vapor Pressure: 0.0242mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 248.443 °C at 760 mmHg
• Flash Point: 63.596 °C
• PSA: 17.07000
• Density: 1.422 g/cm³
• LogP: 2.71160
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 211.98368
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C1=CC=CC=C1)Br

Technology Process of 1-Bromo-1-phenylpropan-2-one

There total 25 articles about 1-Bromo-1-phenylpropan-2-one 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%

1-phenyl-acetone (103-79-7,136675-26-8) → 1-bromo-1-phenyl-2-propanone (23022-83-5)

Guidance literature:

With bromine; at 20 ℃; for 0.333333h;

DOI:10.1021/jm0211117

Reference yield: 99.0%

3-Brom-3-phenyl-2,4-pentandion → 1-bromo-1-phenyl-2-propanone (23022-83-5)

Guidance literature:

With silica-supported sulfuric acid; In 1,2-dichloro-ethane; at 60 ℃; for 1h;

DOI:10.1246/cl.2011.484

Reference yield: 85.0%

1-phenyl-acetone (103-79-7,136675-26-8) → 1,3-dibromo-1-phenyl-2-propenone (54210-98-9) + 1-bromo-1-phenyl-2-propanone (23022-83-5) + 1-bromo-3-phenyl-2-propanone (20772-12-7)

Guidance literature:

1-phenyl-acetone; With bromine; In acetic acid; at 20 ℃; for 6h;

With acetone; at 20 ℃; for 30h;

DOI:10.1021/ol0271638

upstream raw materials:

1-bromo-3-phenyl-2-propanone

1-phenyl-acetone

(E,Z)-1-Azido-1-phenyl-1-propen

3-phenyl-2-propanol

Downstream raw materials:

1-phenyl-1-piperidin-1-yl-propan-2-one

1-methoxy-1-phenyl-acetone

2-phenyl-3-methyl-1H-indole

1-phenyl-1-(phenylamino)propan-2-one

Refernces

• 1、 Aoyama, Tadashi,Hayakawa, Mamiko,Kubota, Sho,Ogawa, Sumire,Nakajima, Erika,Mitsuyama, Emi,Iwabuchi, Taku,Kaneko, Haruki,Obara, Rina,Takido, Toshio,Kodomari, Mitsuo,Ouchi, Akihiko. "Simple Method for sp2-sp3 and sp3-sp3 Carbon-Carbon Bond Activation in 2-Substituted 1,3-Diketones". supporting information. p. 2945 - 2956. Retrieved 2015/09/28.
• 2、 Zhang, Xiaoming,Sarkar, Sujan K.,Weragoda, Geethika K.,Rajam, Sridhar,Ault, Bruce S.,Gudmundsdottir, Anna D.. "Comparison of the photochemistry of 3-methyl-2-phenyl-2h-azirine and 2-methyl-3-phenyl-2h-azirine". . p. 653 - 663. Retrieved 2014/04/03.