5-[4-(Hydroxymethyl)-3,5-dimethoxyphenoxy]pentanoic acid

Base Information

• Chemical Name: 5-[4-(Hydroxymethyl)-3,5-dimethoxyphenoxy]pentanoic acid
• CAS No.: 134020-55-6
• Molecular Formula: C₁₄H₂₀O₆
• Molecular Weight: 284.309
• DSSTox Substance ID: DTXSID901201929
• Mol file: 134020-55-6.mol

Synonyms:134020-55-6;5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]pentanoic acid;Pentanoic acid, 5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]-;5-(4-(Hydroxymethyl)-3,5-dimethoxyphenoxy)pentanoic acid;SCHEMBL9455502;DTXSID901201929;F96450

Chemical Property of 5-[4-(Hydroxymethyl)-3,5-dimethoxyphenoxy]pentanoic acid

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 284.12598835
• Heavy Atom Count: 20
• Complexity: 269

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1CO)OC)OCCCCC(=O)O

Technology Process of 5-[4-(Hydroxymethyl)-3,5-dimethoxyphenoxy]pentanoic acid

There total 2 articles about 5-[4-(Hydroxymethyl)-3,5-dimethoxyphenoxy]pentanoic acid 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:

ethyl 5'-(4-formyl-3,5-dimethoxyphenoxy)valerate (115109-57-4) → 5-(4-Hydroxymethyl-3,5-dimethoxy-phenoxy)-pentanoic acid (134020-55-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1N NaOH / methanol

2: NaBH₄

With sodium hydroxide; sodium tetrahydroborate; In methanol;

DOI:10.1016/S0040-4039(00)74475-3

Reference yield:

5-(4-formyl-3,5-dimethoxyphenoxy)pentanoic acid (115109-59-6) → 5-(4-Hydroxymethyl-3,5-dimethoxy-phenoxy)-pentanoic acid (134020-55-6)

Guidance literature:

With sodium tetrahydroborate;

DOI:10.1016/S0040-4039(00)74475-3

Reference yield:

5-(4-Hydroxymethyl-3,5-dimethoxy-phenoxy)-pentanoic acid (134020-55-6) + 2,4,5-trichlorophenol (95-95-4) → 2,4,5-Trichlorophenyl 5-(4-hydroxymethyl-3,5-dimethoxyphenoxy)valerate (134020-56-7)

Guidance literature:

With dicyclohexyl-carbodiimide; In ethyl acetate; Yield given;

DOI:10.1016/S0040-4039(00)74475-3

upstream raw materials:

5-(4-formyl-3,5-dimethoxyphenoxy)pentanoic acid

ethyl 5'-(4-formyl-3,5-dimethoxyphenoxy)valerate

Downstream raw materials:

2,4,5-Trichlorophenyl 5-(4-hydroxymethyl-3,5-dimethoxyphenoxy)valerate