2-(3-(Benzyloxy)phenyl)acetic acid

Base Information

• Chemical Name: 2-(3-(Benzyloxy)phenyl)acetic acid
• CAS No.: 1860-58-8
• Molecular Formula: C15H14O3
• Molecular Weight: 242.274
• Hs Code.: 2918990090
• European Community (EC) Number: 625-142-6
• ChEMBL ID: CHEMBL190962
• DSSTox Substance ID: DTXSID50404655
• Nikkaji Number: J583.791J
• Wikidata: Q72442464
• Mol file: 1860-58-8.mol

Synonyms:1860-58-8;2-(3-(Benzyloxy)phenyl)acetic acid;3-Benzyloxyphenylacetic acid;(3-Benzyloxyphenyl)acetic acid;(3-Benzyloxy-phenyl)-acetic acid;2-(3-phenylmethoxyphenyl)acetic Acid;CHEMBL190962;2-[3-(benzyloxy)phenyl]acetic acid;MFCD02664806;[3-(benzyloxy)phenyl]acetic acid;2-(3-(Benzyloxy)phenyl)aceticacid;2-[3-(phenylmethoxy)phenyl]acetic acid;3-benzyloxyphenyl acetic acid;SCHEMBL954459;DTXSID50404655;ethyl5-methyl-2,4-dioxohexanoate;LLZKAZNUCYYBQO-UHFFFAOYSA-N;BDBM50168282;(3-Benzyloxyphenyl)acetic acid, 97%;AKOS001476116;2-(3-phenylmethoxyphenyl)ethanoic acid;AC-6326;SY014076;B4674;CS-0132413;FT-0711907;EN300-140148;A813003;J-011943;Z816000360

Chemical Property of 2-(3-(Benzyloxy)phenyl)acetic acid

Chemical Property:

• Vapor Pressure: 9.47E-08mmHg at 25°C
• Melting Point: 79-82°C
• Refractive Index: 1.595
• Boiling Point: 418.4 °C at 760 mmHg
• PKA: 4.19±0.10(Predicted)
• Flash Point: 158.3 °C
• PSA: 46.53000
• Density: 1.201g/cm³
• LogP: 2.89270
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

(3-Benzyloxyphenyl)acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22-37/38-41-50:
• Hazard Codes: Xn,N
• Statements: 22-37/38-41-50
• Safety Statements: 26-39-61

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3-(Benzyloxy)phenyl)acetic acid

There total 19 articles about 2-(3-(Benzyloxy)phenyl)acetic 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: 98.0%

2-(3-benzyloxyphenyl)acetonitrile (20967-96-8) → 3-benzyloxyphenylacetic acid (1860-58-8)

Guidance literature:

With sodium hydroxide; In water; Heating;

DOI:10.1016/j.bmc.2005.10.051

Reference yield: 94.0%

phenylmethyl 2-[3-(phenylmethoxy)phenyl]acetate (139377-33-6) → 3-benzyloxyphenylacetic acid (1860-58-8)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; methanol; at 20 ℃;

DOI:10.1055/s-2000-6414

Reference yield: 93.0%

m-hydroxyphenylacetic acid (621-37-4) + benzyl bromide (100-39-0) → 3-benzyloxyphenylacetic acid (1860-58-8)

Guidance literature:

With potassium hydroxide; sodium iodide; In ethanol; for 16h; Heating;

DOI:10.1021/jm040858p

upstream raw materials:

1-benzyloxy-3-chloromethylbenzene

ethyl 3-(benzyloxyphenyl)acetate

phenylmethyl 2-[3-(phenylmethoxy)phenyl]acetate

3-benzyloxybenzyl bromide

Downstream raw materials:

<3-(benzyloxy)phenyl>acetone

methyl 2-<3-(benzyloxy)phenyl>-N-methyl acetohydroxamate

N-<2-(3-methoxyphenyl)ethyl>-m-benzyloxyphenylacetamide

3-(m-benzyloxyphenyl)-4-(p-acetoxyphenyl)-7-methoxycoumarin