Phenyl 2-bromo-2-propyl ketone

Base Information

• Chemical Name: Phenyl 2-bromo-2-propyl ketone
• CAS No.: 10409-54-8
• Molecular Formula: C10H11BrO
• Molecular Weight: 227.101
• Hs Code.: 29147000
• European Community (EC) Number: 233-879-6
• UNII: 85F2QK25CN
• DSSTox Substance ID: DTXSID40146274
• Nikkaji Number: J236.812I
• Wikidata: Q83011056
• Mol file: 10409-54-8.mol

Synonyms:10409-54-8;2-Bromo-2-methylpropiophenone;2-bromo-2-methyl-1-phenylpropan-1-one;2-Bromoisobutyrophenone;Phenyl 2-bromo-2-propyl ketone;alpha-Bromoisobutyrophenone;.alpha.-Bromoisobutyrophenone;85F2QK25CN;EINECS 233-879-6;1-Propanone, 2-bromo-2-methyl-1-phenyl-;2-Bromo-isobutyrophenone;UNII-85F2QK25CN;a-bromo-a-methylpropiophenone;SCHEMBL758154;2-Bromoisobutyrophenone, 98%;2-BENZOYL-2-BROMOPROPANE;DTXSID40146274;phenyl alpha-bromoisopropyl ketone;AMY32375;alpha-Bromo-alpha-methylpropiophenone;MFCD00000124;AKOS015912445;2-Bromo-2-methyl-1-phenyl-1-propanone;2-bromo-2-methyl-1-phenyl-propan-1-one;AS-81306;2-Bromo-2-methyl-1-phenyl-1-propanone #;CS-0379375;FT-0636700;E79194;A800894;J-001103

Chemical Property of Phenyl 2-bromo-2-propyl ketone

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.0188mmHg at 25°C
• Refractive Index: n20/D 1.5561(lit.)
• Boiling Point: 253 °C at 760mmHg
• Flash Point: 48.2 °C
• PSA: 17.07000
• Density: 1.358 g/cm³
• LogP: 3.04280
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 225.99933
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

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

2-Bromoisobutyrophenone 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-27-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Phenyl 2-bromo-2-propyl ketone

There total 13 articles about Phenyl 2-bromo-2-propyl ketone 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%

phenyl isopropyl ketone (611-70-1) → 2-bromo-2-methyl-1-phenyl-propan-1-one (10409-54-8)

Guidance literature:

With hydrogen bromide; bromine; In dichloromethane; for 4h;

Reference yield: 96.0%

2,2,5,5-tetramethyl-4-phenyl-3-imidazolin-1-oxyl (39753-69-0) → 2-bromo-2-methyl-1-phenyl-propan-1-one (10409-54-8)

Guidance literature:

With bromine; In chloroform; for 1h;

DOI:10.1007/BF01417988

Reference yield: 90.0%

2-methyl-2-nitroso-1-phenyl-1-propanone (46175-01-3) → 2-bromo-2-methyl-1-phenyl-propan-1-one (10409-54-8)

Guidance literature:

With bromine; In chloroform;

DOI:10.1007/BF01417988

upstream raw materials:

phenyl isopropyl ketone

2-bromoisobutyric acid bromide

benzene

(2-methyl-1-propenyl)-benzene

Downstream raw materials:

2-butoxy-3,3-dimethyl-2-phenyl-oxirane

2-allyloxy-3,3-dimethyl-2-phenyl-oxirane

2-methoxy-3,3-dimethyl-2-phenyl-oxirane

2-ethoxy-3,3-dimethyl-2-phenyl-oxirane

Refernces

• 1、 Lewis et al.. "". . p. 255. Retrieved 1969.
• 2、 Zumbr?gel, Nadine,Machui, Paul,Nonnhoff, Jannis,Gr?ger, Harald. "Enantioselective Biocatalytic Reduction of 2 H-1,4-Benzoxazines Using Imine Reductases". . p. 1440 - 1447. Retrieved 2019.
• 3、 Tada, Norihiro,Ban, Kazunori,Hirashima, Shin-Ichi,Miura, Tsuyoshi,Itoh, Akichika. "Direct synthesis of α-bromoketones from alkylarenes by aerobic visible light photooxidation". . p. 4701 - 4704. Retrieved 2010.
• 4、 Bolm, Carsten,Ma, Ding,Shi, Peng,Tu, Yongliang,Wang, Chenyang,Zhang, Duo. "Visible light-induced C-C bond cleavage in a multicomponent reaction cascade allowing acylations of sulfoximines with ketones". supporting information. p. 8096 - 8101. Retrieved 2021/10/04.