2-(Tert-butoxy)acetic acid

Base Information

• Chemical Name: 2-(Tert-butoxy)acetic acid
• CAS No.: 13211-32-0
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• Hs Code.: 2918990090
• European Community (EC) Number: 674-324-1
• DSSTox Substance ID: DTXSID20375469
• Nikkaji Number: J1.429.756A
• Wikidata: Q72509646
• Mol file: 13211-32-0.mol

Synonyms:2-(tert-butoxy)acetic acid;13211-32-0;tert-Butoxy acetic acid;2-tert-butoxyacetic acid;tert-butoxyacetic acid;2-[(2-methylpropan-2-yl)oxy]acetic Acid;Acetic acid, (1,1-dimethylethoxy)-;(1,1-Dimethylethoxy)acetic acid;MFCD03452738;(tert-Butoxy)ethanoic acid;o-tert-butyl-glycollic acid;t-butoxyacetic acid;Acetic acid,2-(1,1-dimethylethoxy)-;Acetic acid, 2-(1,1-dimethylethoxy)-;tert-Butoxy-acetic acid;2-(tert-butoxy)aceticacid;2-Tertiary-butoxyacetic acid;SCHEMBL431399;DTXSID20375469;HQLILHPGWSURBT-UHFFFAOYSA-N;tert-Butoxyacetic acid, AldrichCPR;AMY11484;2-(1,1-Dimethylethoxy)acetic acid;AKOS009157457;CCG-352166;CS-W013413;PS-3095;SY040142;FT-0636841;D70768;EN300-104666;A806382;J-006124;Boc-3-amino-3-(benzo[d][1,3]dioxol-5-yl)propanoicacid;Z362795372

Chemical Property of 2-(Tert-butoxy)acetic acid

Chemical Property:

• Vapor Pressure: 0.038mmHg at 25°C
• Melting Point: -5 °C
• Refractive Index: 1.428
• Boiling Point: 222.286 °C at 760 mmHg
• PKA: 3.55±0.10(Predicted)
• Flash Point: 88.545 °C
• PSA: 46.53000
• Density: 1.028 g/cm³
• LogP: 0.88610
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

tert-ButoxyAceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OCC(=O)O

Technology Process of 2-(Tert-butoxy)acetic acid

There total 18 articles about 2-(Tert-butoxy)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: 86.0%

tert-butyl peroxyacetate (107-71-1) → tert-butoxyacetic acid (13211-32-0)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; pentane; at -78 - -60 ℃; for 4h;

DOI:10.1021/jo00169a016

Reference yield: 84.0%

n-butyl 2-tert-butoxyacetate (116193-68-1) → tert-butoxyacetic acid (13211-32-0)

Guidance literature:

With potassium carbonate; In methanol; for 17h; Heating;

DOI:10.1021/jm00105a060

Reference yield: 67.0%

chloroacetic acid (79-11-8) + tert-butyl alcohol (75-65-0) → tert-butoxyacetic acid (13211-32-0)

Guidance literature:

tert-butyl alcohol; With sodium hydride; potassium iodide; In tetrahydrofuran; at 0 ℃; for 0.25h;

chloroacetic acid; In tetrahydrofuran; for 24h; Further stages.; Heating;

DOI:10.1021/jo8006539

upstream raw materials:

chloroacetic acid

sodium t-butanolate

tert-butyl peroxyacetate

tert-butyl methyl ether

Downstream raw materials:

3-((1-((5-(tert-butoxymethyl)-6-methoxypyridazin-3-yl)methyl)-6-oxo-4-(trifluoro methyl)-1,6-dihydropyrimidin-5-yl)oxy)-5-chlorobenzonitrile

3-(tert-butoxymethyl)-1-phenylpyrrolidine-2,5-dione

3-[5-(2-tert-butoxyacetyl)-1-(2,4-difluorobenzyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile

2-(1,1-dimethylethoxy)acetic acid methyl ester

Refernces

• 1、 -. "METHODS OF PREPARING CARBOCYCLIC NUCLEOSIDES". Page/Page column 24. . Retrieved 2017/12/18.
• 2、 -. "PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND". Page/Page column 17. . Retrieved 2011/04/14.