Methyl 2-(3-bromopropoxy)benzoate

Base Information

• Chemical Name: Methyl 2-(3-bromopropoxy)benzoate
• CAS No.: 26930-28-9
• Molecular Formula: C11H13BrO3
• Molecular Weight: 273.126
• DSSTox Substance ID: DTXSID20553947
• Wikidata: Q82434690
• Mol file: 26930-28-9.mol

Synonyms:methyl 2-(3-bromopropoxy)benzoate;26930-28-9;Benzoic acid, 2-(3-bromopropoxy)-, methyl ester;SCHEMBL6043498;DTXSID20553947;AKOS010994022;A1-05304

Chemical Property of Methyl 2-(3-bromopropoxy)benzoate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 272.00481
• Heavy Atom Count: 15
• Complexity: 196

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1OCCCBr

Technology Process of Methyl 2-(3-bromopropoxy)benzoate

There total 2 articles about Methyl 2-(3-bromopropoxy)benzoate 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: 50.0%

1,3-dibromo-propane (109-64-8) + methyl salicylate (119-36-8,8024-54-2) → 2-(3-bromo-propoxy)-benzoic acid methyl ester (26930-28-9)

Guidance literature:

With potassium carbonate; In acetone; for 24h; Heating;

Reference yield:

→ 2-(3-bromo-propoxy)-benzoic acid methyl ester (26930-28-9)

Guidance literature:

/BRN= 3264285/;

DOI:10.1021/ja01151a047

Reference yield: 18.0%

2-(3-bromo-propoxy)-benzoic acid methyl ester (26930-28-9) → 4,5-dihydrobenzo[c]oxepin-1-(3H)-one (5651-62-7) + methyl-2-propoxybenzoic acid (18167-33-4)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 1h; Heating;

DOI:10.1016/S0040-4039(00)77609-X

upstream raw materials:

1,3-dibromo-propane

methyl salicylate

Downstream raw materials:

4,5-dihydrobenzo[c]oxepin-1-(3H)-one

methyl-2-propoxybenzoic acid

2-(3-azidopropoxy)-benzoic acid methyl ester