4-Benzyloxyphenoxyacetic acid

Base Information

• Chemical Name: 4-Benzyloxyphenoxyacetic acid
• CAS No.: 38559-92-1
• Molecular Formula: C15H14 O4
• Molecular Weight: 258.274
• Hs Code.: 2918990090
• European Community (EC) Number: 254-000-2
• DSSTox Substance ID: DTXSID40191885
• Nikkaji Number: J294.699H
• Wikidata: Q83064474
• Mol file: 38559-92-1.mol

Synonyms:38559-92-1;4-Benzyloxyphenoxyacetic acid;[4-(benzyloxy)phenoxy]acetic acid;4-(Benzyloxy)phenoxyacetic acid;2-(4-(benzyloxy)phenoxy)acetic acid;2-(4-phenylmethoxyphenoxy)acetic acid;2-[4-(benzyloxy)phenoxy]acetic acid;(4-(Phenylmethoxy)phenoxy)acetic acid;EINECS 254-000-2;[4-(phenylmethoxy)phenoxy]acetic acid;2-[4-(Phenylmethoxy)phenoxy]-acetic acid;Acetic acid, [4-(phenylmethoxy)phenoxy]-;Acetic acid, (4-(phenylmethoxy)phenoxy)-;Enamine_002147;Oprea1_606095;SCHEMBL1115002;(4-benzyloxyphenoxy)acetic acid;DTXSID40191885;(4-benzyloxy-phenoxy)-acetic acid;HMS1400B13;2-(4-(benzyloxy)phenoxy)aceticacid;BBL000004;MFCD00014361;STK098821;AKOS000113091;AS-62464;4-THIOMORPHOLINEACETICACID,ETHYLESTER;FT-0616696;EN300-16921;A50574;SR-01000031965;SR-01000031965-1;Z56827842

Chemical Property of 4-Benzyloxyphenoxyacetic acid

Chemical Property:

• Vapor Pressure: 2.1E-08mmHg at 25°C
• Melting Point: 139-140°C
• Boiling Point: 436.9°Cat760mmHg
• PKA: 3.24±0.10(Predicted)
• Flash Point: 164.9°C
• PSA: 55.76000
• Density: 1.234g/cm³
• LogP: 2.72900
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 258.08920892
• Heavy Atom Count: 19
• Complexity: 265

Purity/Quality:

90.0%Min ^*data from raw suppliers

[4-(Benzyloxy)phenoxy]acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC(=O)O

Technology Process of 4-Benzyloxyphenoxyacetic acid

There total 7 articles about 4-Benzyloxyphenoxyacetic 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: 92.0%

Methyl 4-bromobutyrate (4897-84-1) + 4-Benzyloxyphenol (103-16-2) → 2-(4-Benzyloxyphenoxy)ethanoic acid (38559-92-1)

Guidance literature:

4-Benzyloxyphenol; With sodium hydroxide; In ethanol; water; at 60 ℃; for 0.5h;

Methyl 4-bromobutyrate; In ethanol; water; at 110 ℃; for 3h; pH=Ca. 10;

Reference yield: 90.0%

Ethyl 2-(4-benzyloxyphenoxy)ethanoate (142717-44-0) → 2-(4-Benzyloxyphenoxy)ethanoic acid (38559-92-1)

Guidance literature:

With potassium hydroxide; In 2-methoxy-ethanol; at 100 ℃; for 1.75h;

Reference yield: 76.0%

glycolic Acid (79-14-1) + 4-(4-benzyloxyphenyl) iodide (19578-68-8) → 2-(4-Benzyloxyphenoxy)ethanoic acid (38559-92-1)

Guidance literature:

With copper(l) iodide; caesium carbonate; In water; dimethyl sulfoxide; at 120 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1021/jo400702z

upstream raw materials:

Ethyl 2-(4-benzyloxyphenoxy)ethanoate

tert-Butyl chloroacetate

4-Benzyloxyphenol

glycolic Acid

Downstream raw materials:

4-Propylphenyl 2-(4-benzyloxyphenoxy)ethanoate

(4-benzyloxyphenyl)oxyacetic acid chloride

ethyl 2-(4-hydroxyphenoxy)acetate

4-Benzyloxyphenol

Refernces

• 1、 Mori, Hisashi,Wada, Ryogo,Li, Jie,Ishimoto, Tetsuya,Mizuguchi, Mineyuki,Obita, Takayuki,Gouda, Hiroaki,Hirono, Shuichi,Toyooka, Naoki. "In silico and pharmacological screenings identify novel serine racemase inhibitors". . p. 3732 - 3735. Retrieved 2014/09/03.
• 2、 -. "COMPOUNDS WITH COMBINED CALCIUM CHANNEL BLOCKER AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITIES FOR TREATMENT OF HEART DISEASE". Page/Page column 50. . Retrieved 2008/06/13.