Cas no 445003-37-2 (TERT-BUTYL 4-BROMO-2-METHYLBENZOATE)

TERT-BUTYL 4-BROMO-2-METHYLBENZOATE is a brominated aromatic ester commonly used as an intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its key advantages include a stable tert-butyl ester group, which enhances solubility and reactivity in various coupling reactions, and the bromine substituent, which facilitates further functionalization via cross-coupling methodologies such as Suzuki or Heck reactions. The methyl group at the 2-position offers steric and electronic modulation, making it valuable for tailored synthetic routes. This compound is characterized by high purity and consistent performance, ensuring reliable results in complex synthetic processes. Proper handling under inert conditions is recommended to maintain stability.
TERT-BUTYL 4-BROMO-2-METHYLBENZOATE structure
445003-37-2 structure
Product Name:TERT-BUTYL 4-BROMO-2-METHYLBENZOATE
CAS No:445003-37-2
MF:C12H15BrO2
MW:271.150303125381
MDL:MFCD08703427
CID:929533
PubChem ID:53432590
Update Time:2025-10-28

TERT-BUTYL 4-BROMO-2-METHYLBENZOATE Chemical and Physical Properties

Names and Identifiers

    • TERT-BUTYL 4-BROMO-2-METHYLBENZOATE
    • CS-0038319
    • EN300-304791
    • tert.butyl 4-bromo-2-methyl-benzoate
    • DTXSID90700587
    • MFCD08703427
    • tert-butyl 4-bromo-2-methyl-benzoate
    • AKOS013211239
    • SY125721
    • SCHEMBL277358
    • A872524
    • A1-07771
    • tert.-butyl 4-bromo-2-methyl-benzoate
    • W11660
    • VSA00337
    • AS-62339
    • 445003-37-2
    • 4-Bromo-2-methylbenzoic acid tert-butyl ester
    • 4-bromo-2-methyl-benzoic acid tert-butyl ester
    • DB-087156
    • TERT-BUTYL4-BROMO-2-METHYLBENZOATE
    • KKSOKTQAWHCIMG-UHFFFAOYSA-N
    • MDL: MFCD08703427
    • Inchi: 1S/C12H15BrO2/c1-8-7-9(13)5-6-10(8)11(14)15-12(2,3)4/h5-7H,1-4H3
    • InChI Key: KKSOKTQAWHCIMG-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C)C=1)C(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 270.02554g/mol
  • Monoisotopic Mass: 270.02554g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 232
  • 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
  • XLogP3: 3.8
  • Topological Polar Surface Area: 26.3?2

TERT-BUTYL 4-BROMO-2-METHYLBENZOATE Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A019093660-5g
tert-Butyl 4-bromo-2-methylbenzoate
445003-37-2 95%
5g
$434.66 2023-09-01
Chemenu
CM154849-5g
tert-Butyl 4-bromo-2-methylbenzoate
445003-37-2 95%
5g
$489 2021-06-17
TRC
B589355-50mg
tert-Butyl 4-Bromo-2-methylbenzoate
445003-37-2
50mg
$ 50.00 2022-06-07
TRC
B589355-100mg
tert-Butyl 4-Bromo-2-methylbenzoate
445003-37-2
100mg
$ 70.00 2022-06-07
TRC
B589355-500mg
tert-Butyl 4-Bromo-2-methylbenzoate
445003-37-2
500mg
$ 230.00 2022-06-07
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-FW161-1g
TERT-BUTYL 4-BROMO-2-METHYLBENZOATE
445003-37-2 98%
1g
1074.0CNY 2021-07-14
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-FW161-5g
TERT-BUTYL 4-BROMO-2-METHYLBENZOATE
445003-37-2 98%
5g
2865.0CNY 2021-07-14
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-FW161-50mg
TERT-BUTYL 4-BROMO-2-METHYLBENZOATE
445003-37-2 98%
50mg
153.0CNY 2021-07-14
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-FW161-200mg
TERT-BUTYL 4-BROMO-2-METHYLBENZOATE
445003-37-2 98%
200mg
357.0CNY 2021-07-14
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
T94650-250mg
Tert-Butyl 4-bromo-2-methylbenzoate
445003-37-2 98%
250mg
¥178.0 2024-07-18

Additional information on TERT-BUTYL 4-BROMO-2-METHYLBENZOATE

Comprehensive Overview of TERT-BUTYL 4-BROMO-2-METHYLBENZOATE (CAS No. 445003-37-2)

TERT-BUTYL 4-BROMO-2-METHYLBENZOATE (CAS No. 445003-37-2) is a specialized organic compound widely utilized in pharmaceutical intermediates, agrochemical synthesis, and advanced material research. Its molecular structure, featuring a tert-butyl ester group and a bromomethyl substitution, makes it a versatile building block for cross-coupling reactions and functional group transformations. Researchers and industries value this compound for its role in palladium-catalyzed reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, which are pivotal in drug discovery and material science.

In recent years, the demand for TERT-BUTYL 4-BROMO-2-METHYLBENZOATE has surged due to its applications in high-performance polymers and OLED materials, aligning with the global shift toward sustainable electronics. A trending topic in 2024 is the integration of brominated aromatic compounds like this into organic photovoltaics (OPVs), where they enhance light absorption and charge transport efficiency. Users frequently search for "how to synthesize TERT-BUTYL 4-BROMO-2-METHYLBENZOATE" or "alternative reagents for bromo-methyl benzoate derivatives," reflecting its technical relevance.

The compound’s stability under inert conditions and compatibility with Grignard reagents further expand its utility. For instance, it serves as a precursor for lithiation reactions, enabling the introduction of complex substituents. Environmental concerns have also driven interest in "green synthesis methods for bromoaromatics," with studies exploring catalytic bromination techniques to reduce waste. Analytical techniques like HPLC and NMR are critical for purity verification, a common query among quality control professionals.

From a commercial perspective, TERT-BUTYL 4-BROMO-2-METHYLBENZOATE is often compared to similar esters like methyl 4-bromo-2-methylbenzoate in terms of reactivity and cost-efficiency. Suppliers emphasize its low hygroscopicity and long shelf life, addressing storage-related searches. Regulatory compliance, particularly REACH and FDA guidelines for pharmaceutical use, is another hot topic, with users seeking "CAS 445003-37-2 safety data sheets."

Innovations in flow chemistry have recently optimized the production of this compound, reducing reaction times and improving yields—a focus area for process chemists. Additionally, its role in metal-organic frameworks (MOFs) has gained traction, linking to searches like "MOF linker synthesis." As industries prioritize scalable synthetic routes, TERT-BUTYL 4-BROMO-2-METHYLBENZOATE remains a key player in bridging academic research and industrial applications.

Recommended suppliers
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.