Cas no 85259-19-4 (Methyl a-Bromo-2-chlorophenylacetate)

Methyl a-Bromo-2-chlorophenylacetate structure
85259-19-4 structure
Product Name:Methyl a-Bromo-2-chlorophenylacetate
CAS No:85259-19-4
MF:C9H8BrClO2
MW:263.515621185303
MDL:MFCD08444353
CID:60855
PubChem ID:10730282
Update Time:2024-10-26

Methyl a-Bromo-2-chlorophenylacetate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-bromo-2-(2-chlorophenyl)acetate
    • alpha-Bromo-2-chloro-phenylacetic acid methyl ester
    • Methyl α-Bromo-2-chlorophenylacetate
    • Methyl alpha-Bromo-2-chlorophenylacetate
    • 2-Bromo-2-(2-chlorophenyl)acetic acid methyl ester
    • Methyl α-Bromo-2-chl
    • &alpha
    • ALPHA BROMO-2-CHLORO PHENYL ACETIC ACID
    • METHYL ESTER
    • α-Bromo-2-chlorophenylacetic Acid Methyl Ester
    • Methyl bromo(2-chlorophenyl)acetate
    • Methyl α-bromo-2-chlorobenzeneacetate
    • Methyl α-bromo-α-(2-chlorophenyl)acetate
    • Methyl a-Bromo-2-chlorophenylacetate
    • MDL: MFCD08444353
    • Inchi: 1S/C9H8BrClO2/c1-13-9(12)8(10)6-4-2-3-5-7(6)11/h2-5,8H,1H3
    • InChI Key: HMBUCZUZRQQJQD-UHFFFAOYSA-N
    • SMILES: O=C(C(C1C(Cl)=CC=CC=1)Br)OC

Computed Properties

  • Exact Mass: 261.94000
  • Monoisotopic Mass: 261.94
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 187
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Density: 1.567
  • Boiling Point: 281 oC
  • Flash Point: 124 oC
  • Refractive Index: 1.5630 to 1.5670
  • PSA: 26.30000
  • LogP: 2.94900

Methyl a-Bromo-2-chlorophenylacetate Security Information

Methyl a-Bromo-2-chlorophenylacetate Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Methyl a-Bromo-2-chlorophenylacetate Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Sulfuric acid Solvents: Water ;  5 h, reflux
Reference
Synthesis of racemic Clopidogrel
Xu, Ke-hui; Liu, Pei-pei; Lin, Fei-fei; Pan, Fan-bing; Guo, Hai-chang, Zhejiang Huagong, 2010, 41(5), 6-7

Production Method 2

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: Benzoyl peroxide Solvents: 1,2-Dichloroethane ;  12 h, reflux
Reference
Regio- and Chemoselective C-H Chlorination/Bromination of Electron-Deficient Arenes by Weak Coordination and Study of Relative Directing-Group Abilities
Sun, Xiuyun; Shan, Gang; Sun, Yonghui; Rao, Yu, Angewandte Chemie, 2013, 52(16), 4440-4444

Production Method 3

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Methanol ;  30 min, rt; rt → 50 °C; 30 min, 50 °C
Reference
Synthesis of intermediates of Clopidogrel
Zhang, Qing-shan; Zou, Jiang, Jingxi Huagong, 2004, 21(3), 195-196

Production Method 4

Reaction Conditions
1.1 Solvents: Methanol ;  rt; 3 h, reflux
Reference
Synthesis and Characterization of Impurity B of S-(+)-Clopidogrel Bisulfate: An Antiplatelet
Reddy, K. Tatendra; Kumar, K. Suneel; Omprakash, G.; Dubey, P. K., Synthetic Communications, 2013, 43(10), 1387-1396

Production Method 5

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Methanol ;  2 h, 20 - 25 °C
Reference
Improved method for synthesis of Clopidogrel bisulfate
Liu, Jie; Wang, Wen-feng; Yang, Yan; Chi, Xiao-wei, Huaxue Shiji, 2009, 31(8), 664-666

Production Method 6

Reaction Conditions
1.1 Reagents: Phosphorus tribromide Solvents: Chloroform ;  4 d, rt
Reference
New 4-aryl-1,3,2-oxathiazolylium-5-olates: Chemical synthesis and photochemical stability of a novel series of S-nitrosothiols
Eilertsen, Monica; Allin, Steve M.; Pearson, Russell J., Bioorganic & Medicinal Chemistry Letters, 2018, 28(6), 1106-1110

Methyl a-Bromo-2-chlorophenylacetate Raw materials

Methyl a-Bromo-2-chlorophenylacetate Preparation Products

Methyl a-Bromo-2-chlorophenylacetate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:85259-19-4)Methyl a-Bromo-2-chlorophenylacetate
Order Number:A863633
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:42
Price ($):165.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:85259-19-4)Methyl a-Bromo-2-chlorophenylacetate
A863633
Purity:99%
Quantity:500g
Price ($):165.0
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