Cas no 87808-49-9 (Methyl 2-bromo-4-methylbenzoate)

Methyl 2-bromo-4-methylbenzoate structure
87808-49-9 structure
Product Name:Methyl 2-bromo-4-methylbenzoate
CAS No:87808-49-9
MF:C9H9BrO2
MW:229.070562124252
MDL:MFCD03840737
CID:95202
PubChem ID:21779704
Update Time:2024-10-26

Methyl 2-bromo-4-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-bromo-4-methylbenzoate
    • methyl2-bromo-4-methylbenzoate
    • Benzoic acid, 2-bromo-4-methyl-, methyl ester
    • 2-BROMO-4-METHYLBENZOIC ACID METHYL ESTER
    • PubChem14035
    • KSC495M0H
    • DJTUYAFJAGLQCK-UHFFFAOYSA-N
    • CL8527
    • AB16571
    • AM62254
    • TRA0046788
    • EN000132
    • BC003821
    • SY021309
    • AB0027208
    • AKOS015834898
    • CS-W005363
    • MFCD03840737
    • DTXCID90568689
    • DS-13913
    • EN300-188686
    • AC-12278
    • 2-Bromo-4-methyl-benzoic Acid Methyl Ester
    • DB-011589
    • 87808-49-9
    • DTXSID00617935
    • SCHEMBL1770905
    • MDL： MFCD03840737
    • Inchi： 1S/C9H9BrO2/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5H,1-2H3
    • InChI Key： DJTUYAFJAGLQCK-UHFFFAOYSA-N
    • SMILES： O=C(C1C(Br)=CC(C)=CC=1)OC

Computed Properties

  • Exact Mass: 227.97900
  • Monoisotopic Mass: 227.979
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 170
  • 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: 26.3
  • XLogP3: 2.8

Experimental Properties

  • Density: 1.434
  • Boiling Point: 264.8℃ at 760 mmHg
  • Flash Point: 113.962°C
  • Refractive Index: 1.545
  • PSA: 26.30000
  • LogP: 2.54410

Methyl 2-bromo-4-methylbenzoate 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%

Methyl 2-bromo-4-methylbenzoate Pricemore >>

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Methyl 2-bromo-4-methylbenzoate Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Sulfuric acid Solvents: Methanol ;  rt; overnight, rt → reflux; reflux → rt
1.2 Reagents: Water ;  rt
Reference
Rh-Catalyzed Asymmetric Hydrogenation of α,β- and β,β-Disubstituted Unsaturated Boronate Esters
Yan, Qiaozhi; et al, Chemistry - A European Journal, 2020, 26(27), 5961-5964

Production Method 2

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Dichloromethane ;  rt → 0 °C; 15 min, 0 °C
1.2 Solvents: Dichloromethane ;  15 min, 0 °C; 0 °C → rt; 30 min, rt
Reference
N-Heterocyclic carbene-catalyzed remote C(sp3)-H acylation of amides
Xu, Huiwei; et al, Tetrahedron Letters, 2023, 121,

Production Method 3

Reaction Conditions
1.1 Solvents: Diethyl ether ,  Methanol ,  Toluene ;  rt; 2 h, rt
Reference
Supramolecular Control of Selectivity in Hydroformylation of Vinyl Arenes: Easy Access to Valuable β-Aldehyde Intermediates
Dydio, Pawel; et al, Angewandte Chemie, 2013, 52(14), 3878-3882

Production Method 4

Reaction Conditions
Reference
Pd-Catalyzed/Iodide-Promoted α-Arylation of Ketones for the Regioselective Synthesis of Isocoumarins
Casnati, Alessandra; et al, Journal of Organic Chemistry, 2017, 82(15), 8296-8303

Production Method 5

Reaction Conditions
1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ;  10 min, 0 °C; 2 h, rt
2.1 Reagents: Triethylamine Solvents: Dichloromethane ;  rt → 0 °C; 15 min, 0 °C
2.2 Solvents: Dichloromethane ;  15 min, 0 °C; 0 °C → rt; 30 min, rt
Reference
N-Heterocyclic carbene-catalyzed remote C(sp3)-H acylation of amides
Xu, Huiwei; et al, Tetrahedron Letters, 2023, 121,

Methyl 2-bromo-4-methylbenzoate Raw materials

Methyl 2-bromo-4-methylbenzoate Preparation Products

Methyl 2-bromo-4-methylbenzoate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:87808-49-9)Methyl 2-bromo-4-methylbenzoate
Order Number:A10460
Stock Status:in Stock
Quantity:100g/500g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 17:21
Price ($):175.0/611.0

Methyl 2-bromo-4-methylbenzoate Related Literature

87808-49-9 (Methyl 2-bromo-4-methylbenzoate) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:87808-49-9)Methyl 2-bromo-4-methylbenzoate
A10460
Purity:99%/99%
Quantity:100g/500g
Price ($):175.0/611.0
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