2-Isobutoxyacetic acid

Base Information

• Chemical Name: 2-Isobutoxyacetic acid
• CAS No.: 24133-46-8
• Molecular Formula: C6H12 O3
• Molecular Weight: 132.159
• Hs Code.: 2918990090
• European Community (EC) Number: 874-965-9
• DSSTox Substance ID: DTXSID00377002
• Wikidata: Q82166005
• Mol file: 24133-46-8.mol

Synonyms:2-isobutoxyacetic acid;24133-46-8;2-(2-methylpropoxy)acetic Acid;isobutoxyacetic acid;2-Methylpropoxyacetic acid;SCHEMBL2952521;DTXSID00377002;RJZXMJIGAJFDRS-UHFFFAOYSA-N;2-isobutoxyacetic acid, AldrichCPR;ZAA13346;MFCD03425725;AKOS000185337;AM85004;CS-0183525;FT-0680139;D79193;EN300-140170;1T-0032;A878013;J-509740

Chemical Property of 2-Isobutoxyacetic acid

Chemical Property:

• Vapor Pressure: 0.0228mmHg at 25°C
• Refractive Index: 1.427
• Boiling Point: 230.8°Cat760mmHg
• PKA: 3.55±0.10(Predicted)
• Flash Point: 93°C
• PSA: 46.53000
• Density: 1.024g/cm³
• LogP: 0.74360
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 88.3

Purity/Quality:

98%Min ^*data from raw suppliers

2-IsobutoxyaceticAcid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COCC(=O)O
• Uses: 2-Isobutoxyacetic Acid is an intermediate in the preparation of bicyclic bridged cycloalkane derivatives as ATF4 pathway inhibitors.

Technology Process of 2-Isobutoxyacetic acid

There total 7 articles about 2-Isobutoxyacetic 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:

2-methyl-propan-1-ol (78-83-1) + sodium monochloroacetic acid (3926-62-3) → isobutoxy-acetic acid (24133-46-8)

Guidance literature:

With NaH; In tetrahydrofuran; hexane; water; dimethyl sulfoxide;

Reference yield:

2-methyl-propan-1-ol (78-83-1) + ethyl bromoacetate (105-36-2) → isobutoxy-acetic acid (24133-46-8)

Guidance literature:

With sodium hydride; In tetrahydrofuran;

Reference yield:

isobutoxy-acetonitrile (135291-86-0) → isobutoxy-acetic acid (24133-46-8)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

isobutoxy-acetonitrile

isobutyl chloroacetate

sodium isobutoxide

chloroacetic acid

Downstream raw materials:

chloromethyl isobutyl ether

isobutoxy-acetyl chloride

isobutyl isobutoxyacetate

Refernces

• 1、 Mounetou, Emmanuelle,Poisson, Claude,Monteil, Andre,Madelmont, Jean-Claude. "Synthesis of N-[2-(2-methylpropoxy)ethyl]-N-{2-[(4-methoxy) phenylmethylthio]phenyl}-1-pyrrolidineethanamine (E)-2-butenedioate (1:1) salt (CERM 12816): A potential anti-anginal drug". . p. 181 - 189. Retrieved 2007/10/03.
• 2、 Basavaiah, D.,Rao, P. Dharma,Gowriswari, V. V. L.. "SULFURIC ACID CATALYZED DECARBONYLATION OF ALKOXYACETYL CHLORIDES". . p. 1411 - 1414. Retrieved 2007/10/02.