Methyl 4-(3-hydroxypropyl)benzoate

Base Information

• Chemical Name: Methyl 4-(3-hydroxypropyl)benzoate
• CAS No.: 15403-22-2
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• DSSTox Substance ID: DTXSID90560143
• Wikidata: Q82443140
• Mol file: 15403-22-2.mol

Synonyms:methyl 4-(3-hydroxypropyl)benzoate;15403-22-2;Benzoic acid, 4-(3-hydroxypropyl)-, methyl ester;SCHEMBL2654777;DTXSID90560143;ARNGRGQYXABYAT-UHFFFAOYSA-N;methyl 4-(-hydroxypropyl)benzoate;methyl4-(3-hydroxypropyl)benzoate;BDBM558419;US11365192, Example 46-3;4-(3-hydroxy-propyl)-benzoic acid methyl ester;EN300-1843549;A1-15660

Chemical Property of Methyl 4-(3-hydroxypropyl)benzoate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)CCCO

Technology Process of Methyl 4-(3-hydroxypropyl)benzoate

There total 13 articles about Methyl 4-(3-hydroxypropyl)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: 96.0%

4-(3-oxo-propyl)-benzoic acid methyl ester (113100-81-5) → 4-(3-hydroxy-propyl)-benzoic acid methyl ester (15403-22-2)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 25 ℃; for 1h;

DOI:10.1021/jo00037a047

Reference yield: 95.0%

methyl 4-(3-hydroxypropynyl)benzoate (61266-36-2) → 4-(3-hydroxy-propyl)-benzoic acid methyl ester (15403-22-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1016/0960-894X(96)00053-4

Reference yield: 90.0%

→ 4-(3-hydroxy-propyl)-benzoic acid methyl ester (15403-22-2)

Guidance literature:

With [ReOCl₂(1,2-bis(diphenylphosphino)ethane)]; hydrogen; potassium tetraphenylborate; In tetrahydrofuran; at 160 ℃; for 24h; under 30003 Torr; Autoclave; Inert atmosphere;

upstream raw materials:

methyl 4-(3-hydroxypropynyl)benzoate

methyl 4-(3-bromopropoxyl)benzoate

4-(3-oxo-propyl)-benzoic acid methyl ester

methyl 4-iodobenzoate

Downstream raw materials:

4-(3-bromo-propyl)-benzoic acid methyl ester

4-(3-oxo-propyl)-benzoic acid methyl ester

4-(3-Hydroxy propyl)benzoic acid