Benzyloxyacetic acid

Base Information

• Chemical Name: Benzyloxyacetic acid
• CAS No.: 30379-55-6
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 29189900
• NSC Number: 153415
• DSSTox Substance ID: DTXSID30952720
• Nikkaji Number: J783.827A
• Wikidata: Q72441721
• ChEMBL ID: CHEMBL3247413
• Mol file: 30379-55-6.mol

Synonyms:Benzyloxyacetic acid;30379-55-6;2-(benzyloxy)acetic acid;(benzyloxy)acetic acid;acetic acid, (phenylmethoxy)-;2-phenylmethoxyacetic acid;2-(phenylmethoxy)acetic acid;2-benzyloxyacetic acid;MFCD00274211;O1J;benzyloxy acetic acid;Benzyloxy-acetic acid;phenylmethoxyacetic acid;ACETIC ACID, 2-(PHENYLMETHOXY)-;2-(benzyloxy)aceticacid;(Benzyloxy)-acetic acid;glycolic acid-benzyl ether;Benzyloxyacetic acid, 95%;SCHEMBL231282;CHEMBL3247413;DTXSID30952720;CHEBI:180539;NSC153415;STK503777;AKOS000186516;CS-W002601;NSC-153415;56-METHYLENEDIOXY-1-INDANONE97;AC-20344;AS-14651;SY002087;AM20120589;B2876;BB 0255030;FT-0622857;EN300-22993;J-017938;J-519833;Benzyloxyacetic acid, tech.

Chemical Property of Benzyloxyacetic acid

Chemical Property:

• Vapor Pressure: 9.33E-05mmHg at 25°C
• Melting Point: 80-81 °C
• Refractive Index: n20/D 1.526(lit.)
• Boiling Point: 325.5 °C at 760 mmHg
• PKA: 3.52±0.10(Predicted)
• Flash Point: 133.6 °C
• PSA: 46.53000
• Density: 1.189 g/cm³
• LogP: 1.28780
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

98% ^*data from raw suppliers

Benzyloxyacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COCC(=O)O
• Uses: It is a compound for proteomics research use. It may be used for following synthesis mixed benzyloxyacetic pivalic anhydride, chiral glycolates, 1,2:4,5-di-O-isopropylidene-β-D-fructopyranos-3-yl benzyloxyacetate, via esterification, tetra aqua(1,10-phenanthroline-[κ]2N,N?)magnesium(II) bis[(2,4-dichlorophenyl)acetate], as ligand in the preparation of diaquabis(benzyloxyacetato)copper(II) complex. Benzyloxyacetic acid may be used for the following syntheses:mixed benzyloxyacetic pivalic anhydridechiral glycolates, 1,2:4,5-di-O-isopropylidene-β-D-fructopyranos-3-yl benzyloxyacetate, via esterificationtetraaqua(1,10-phenanthroline-[κ]2N,N′)magnesium(II) bis[(2,4-dichlorophenyl)acetate]as ligand in the preparation of diaquabis(benzyloxyacetato)copper(II) complex

Technology Process of Benzyloxyacetic acid

There total 28 articles about Benzyloxyacetic 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: 96.0%

bromoacetic acid (79-08-3) + benzyl alcohol (100-51-6,185532-71-2) → benzyloxyacetic acid (30379-55-6)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 23 ℃; for 12h;

DOI:10.1002/chem.201304384

Reference yield: 95.0%

benzyloxyacetate de benzyle (30379-54-5) → benzyloxyacetic acid (30379-55-6)

Guidance literature:

With cyclohexa-1,4-diene; hydrogen; palladium on activated charcoal; In ethanol; for 0.333333h; Ambient temperature;

DOI:10.1016/S0040-4039(00)74195-5

Reference yield: 94.0%

chloroacetic acid (79-11-8) + benzyl alcohol (100-51-6,185532-71-2) → benzyloxyacetic acid (30379-55-6)

Guidance literature:

benzyl alcohol; With sodium; for 2h; Heating;

chloroacetic acid; for 6h; Heating;

DOI:10.1002/(sici)1521-3765(19990104)5:1<121::aid-chem121>3.3.co;2-f

upstream raw materials:

ethyl benzyloxyacetate

benzyl potassium

chloroacetic acid ethyl ester

chloroacetic acid

Downstream raw materials:

benzyloxy-acetic acid-(2-indol-3-yl-ethylamide)

Benzyloxyacetyl chloride

2-(benzyloxy)acetamide

2-(benzyloxy)-N-(3,4-dimethoxyphenethyl)acetamide