Methyl 2-(3-bromophenyl)acetate

Base Information

• Chemical Name: Methyl 2-(3-bromophenyl)acetate
• CAS No.: 150529-73-0
• Molecular Formula: C9H9BrO2
• Molecular Weight: 229.073
• Hs Code.: 2916399090
• European Community (EC) Number: 604-742-1
• UNII: M52JSD72XN
• DSSTox Substance ID: DTXSID40471755
• Nikkaji Number: J472.804A
• Wikidata: Q72488787
• Mol file: 150529-73-0.mol

Synonyms:Methyl 2-(3-bromophenyl)acetate;150529-73-0;Methyl 3-bromophenylacetate;(3-Bromophenyl)acetic acid methyl ester;Benzeneacetic acid, 3-bromo-, methyl ester;3-Bromophenylacetic acid methyl ester;Methyl (3-bromophenyl)acetate;MFCD06858764;Methyl m-bromophenylacetate;methyl 3-bromobenzeneacetate;(3-Bromo-phenyl)-acetic acid methyl ester;(3-Bromophenyl)aceticacidmethylester;M52JSD72XN;methyl 3-bromophenyl-acetate;methyl(3-bromophenyl)acetate;methyl-(3-bromophenyl)acetate;SCHEMBL136054;DTXSID40471755;ULSSGHADTSRELG-UHFFFAOYSA-N;AB3931;3-bromophenyl acetic acid methyl ester;AKOS011268642;CS-W019829;METHYL2-(3-BROMOPHENYL)ACETATE;PS-4897;(3-bromo-phenyl)acetic acid methyl ester;(3-Bromophenyl)-acetic acid methyl ester;AM803251;SY004524;A3312;FT-0649917;M2804;2-(3-Bromo-phenyl)-acetic acid methyl ester;EN300-130965;J-501190;Z905185712

Chemical Property of Methyl 2-(3-bromophenyl)acetate

Chemical Property:

• Vapor Pressure: 0.008mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 268.639 °C at 760 mmHg
• Flash Point: 116.269 °C
• PSA: 26.30000
• Density: 1.446 g/cm³
• LogP: 2.16460
• Storage Temp.: Keep Cold
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.97859
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

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

Methyl2-(3-bromophenyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CC(=CC=C1)Br
• Uses: Methyl 2-(3-bromophenyl)acetate is used as a reagent to synthesize the methyl ester derivative of (R)-Flurbiprofen (F598730). (R)-Flurbiprofen is a nonsteroidal anti-inflammatory drug that exists as a racemate and also has potential application as a treatment for patients with Alzheimer’s Disease.

Technology Process of Methyl 2-(3-bromophenyl)acetate

There total 11 articles about Methyl 2-(3-bromophenyl)acetate 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%

methanol (67-56-1) + 3-Bromophenylacetic acid (1878-67-7) → methyl 2-(3-bromophenyl)acetatee (150529-73-0)

Guidance literature:

With hydrogenchloride; for 1h; Heating;

DOI:10.1016/S0968-0896(03)00220-7

Reference yield: 100.0%

3-Bromophenylacetic acid (1878-67-7) + methyl iodide (74-88-4) → methyl 2-(3-bromophenyl)acetatee (150529-73-0)

Guidance literature:

With potassium carbonate; In acetone; at 30 ℃; for 67h; Inert atmosphere;

DOI:10.3390/molecules24234272

Reference yield: 100.0%

3-Bromophenylacetic acid (1878-67-7) → methyl 2-(3-bromophenyl)acetatee (150529-73-0)

Guidance literature:

With sulfuric acid; In methanol; for 3h; Heating / reflux;

upstream raw materials:

methanol

3-Bromophenylacetic acid

sodium methylate

acetyl chloride

Downstream raw materials:

(3-{3-[3-(Tetrahydro-pyran-2-yloxy)-propyl]-benzyl}-phenyl)-acetic acid methyl ester

methyl (3-bromo-4-nitrophenyl)acetate

Methyl 3-(furan-2-yl)phenylacetate

3-(2-pyridyl)-phenyl acetic acid methyl ester

Refernces

• 1、 Jiang, Jun,Zhang, Xinzhi,Zhang, Yangyang,Zhao, Jincheng. "B(C6F5)3-catalyzed O-H insertion reactions of diazoalkanes with phosphinic acids". supporting information. p. 5772 - 5776. Retrieved 2021/07/12.
• 2、 -. "Pyridineacetamide derivative serving as CDK inhibitor, and preparation method and application thereof". Paragraph 0214-0219. . Retrieved 2021/07/28.