Methyl 4-(bromomethyl)-3-methoxybenzoate

Base Information

• Chemical Name: Methyl 4-(bromomethyl)-3-methoxybenzoate
• CAS No.: 70264-94-7
• Molecular Formula: C10H11BrO3
• Molecular Weight: 259.1
• Hs Code.: 2918990090
• European Community (EC) Number: 410-310-1,615-092-3
• DSSTox Substance ID: DTXSID70374927
• Nikkaji Number: J3.381.775D
• Wikidata: Q72488714
• Mol file: 70264-94-7.mol

Synonyms:Methyl 4-(bromomethyl)-3-methoxybenzoate;70264-94-7;3-methoxy-4-(bromomethyl)benzoic acid methyl ester;methyl 3-methoxy-4-bromomethylbenzoate;methyl 4-bromomethyl-3-methoxybenzoate;4-bromomethyl-3-methoxy-benzoic acid methyl ester;Methyl 4-(Bromomethyl)-m-anisate;MFCD00270115;Benzoic acid, 4-(bromomethyl)-3-methoxy-, methyl ester;EC 410-310-1;4-(Bromomethyl)-3-methoxybenzoic Acid Methyl Ester;methyl 4-(bromomethyl)-3-methoxy-benzoate;METHYL4-(BROMOMETHYL)-3-METHOXYBENZOATE;SCHEMBL184552;DTXSID70374927;UXSNXOMMJXTFEG-UHFFFAOYSA-N;VCA26494;methyl 4-bromomethyl-3methoxybenzoate;AKOS007930901;methyl-4-bromomethyl-3-methoxybenzoate;BG-0064;CS-W005137;AC-22902;methyl 3-methoxy-4-(bromomethyl)benzoate;methyl-4-(Bromomethyl)-3-Methoxybenzoate;4-(Bromomethyl)-m-anisic Acid Methyl Ester;A9275;FT-0641281;M2356;EN300-95390;methyl 4-(bromomethyl)-3-(methyloxy)benzoate;4-bromomethyl-3-methoxybenzoic acid methyl ester;Methyl 4-(bromomethyl)-3-methoxybenzoate, 97%;methyl-4-(bromomethyl)-3-methoxybenzenecarboxylate;J-522251

Chemical Property of Methyl 4-(bromomethyl)-3-methoxybenzoate

Chemical Property:

• Vapor Pressure: 0.000249mmHg at 25°C
• Melting Point: 92-94 °C
• Refractive Index: 1.547
• Boiling Point: 324.2 °C at 760 mmHg
• Flash Point: 149.9 °C
• PSA: 35.53000
• Density: 1.432 g/cm³
• LogP: 2.37670
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 257.98916
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl 4-(bromomethyl)-3-methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XiN
• Hazard Codes: Xi,N
• Statements: 36/37/38-50/53-43-41-38
• Safety Statements: 26-36/37/39-61-60

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(=O)OC)CBr

Technology Process of Methyl 4-(bromomethyl)-3-methoxybenzoate

There total 7 articles about Methyl 4-(bromomethyl)-3-methoxybenzoate 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: 97.0%

methyl 4-methyl-3-methoxybenzoate (3556-83-0) → methyl 4-(bromomethyl)-3-methoxybenzoate (70264-94-7)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 4h; Heating;

DOI:10.1016/S0223-5234(97)83282-5

Reference yield: 82.0%

methyl 4-methyl-3-methoxybenzoate (3556-83-0) → bromo ester + methyl 4-(bromomethyl)-3-methoxybenzoate (70264-94-7)

Guidance literature:

With N-Bromosuccinimide; azobisisobutyronitrile; In tetrachloromethane;

Reference yield: 64.0%

→ methyl 4-(bromomethyl)-3-methoxybenzoate (70264-94-7)

Guidance literature:

upstream raw materials:

methyl 4-methyl-3-methoxybenzoate

3-methoxy-p-toluic acid

azobisisobutyronitrile

Downstream raw materials:

methyl 3-methoxy-4-<<(4-methyl-2-oxo-8-propyl-2H-1-benzopyran-7-yl)oxy>methyl>benzoate

methyl 3-methoxy-4-<(6-nitro-2,3-dihydroindol-1-yl)methyl>benzoate

3-methoxy-4-(1-methyl-5-nitroindol-3-ylmethyl)-benzoic acid methyl ester

Refernces

• 1、 Schierle, Simone,Helmst?dter, Moritz,Schmidt, Jurema,Hartmann, Markus,Horz, Maximiliane,Kaiser, Astrid,Weizel, Lilia,Heitel, Pascal,Proschak, Anna,Hernandez-Olmos, Victor,Proschak, Ewgenij,Merk, Daniel. "Dual Farnesoid X Receptor/Soluble Epoxide Hydrolase Modulators Derived from Zafirlukast". . p. 50 - 67. Retrieved 2019/11/29.
• 2、 Schierle, Simone,Flauaus, Cathrin,Heitel, Pascal,Willems, Sabine,Schmidt, Jurema,Kaiser, Astrid,Weizel, Lilia,Goebel, Tamara,Kahnt, Astrid S.,Geisslinger, Gerd,Steinhilber, Dieter,Wurglics, Mario,Rovati, G. Enrico,Schmidtko, Achim,Proschak, Ewgenij,Merk, Daniel. "Boosting Anti-Inflammatory Potency of Zafirlukast by Designed Polypharmacology". supporting information. p. 5758 - 5764. Retrieved 2018/06/18.