Isopropyl isopropoxyacetate

Base Information

• Chemical Name: Isopropyl isopropoxyacetate
• CAS No.: 17639-74-6
• Molecular Formula: C8H16O3
• Molecular Weight: 160.213
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID30337018
• Nikkaji Number: J46.089C
• Wikidata: Q63408911
• Mol file: 17639-74-6.mol

Synonyms:Isopropyl isopropoxyacetate;17639-74-6;isopropoxyacetic acid isopropyl ester;propan-2-yl 2-propan-2-yloxyacetate;Acetic acid, isopropoxy-, isopropyl ester;Acetic acid, (1-methylethoxy)-, 1-methylethyl ester;isopropyl 2-isopropoxyacetate;Iso-propyl iso-propoxyacetate;Isopropyl isopropoxyacetate #;SCHEMBL1311829;DTXSID30337018;AKOS010935989;E88183;Q63408911

Chemical Property of Isopropyl isopropoxyacetate

Chemical Property:

• PSA: 35.53000
• LogP: 1.36300
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 160.109944368
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OCC(=O)OC(C)C

Technology Process of Isopropyl isopropoxyacetate

There total 3 articles about Isopropyl isopropoxyacetate 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: 8.7%

methyl diazoacetate (6832-16-2) + isopropyl alcohol (67-63-0,8013-70-5) → acetic acid methyl ester (79-20-9) + 2-(1-methylethoxy)acetic acid methyl ester (17639-73-5) + isopropyl methoxyacetate (17640-21-0) + methyl β-hydroxy-β-methylbutyrate (6149-45-7) + isopropyl 2-isopropoxyacetate (17639-74-6)

Guidance literature:

Product distribution; Mechanism; Irradiation; piperylenes as quencher, Ph₂CO as sensitizer, var. temp.;

DOI:10.1021/jo01314a010

Reference yield:

methyl diazoacetate (6832-16-2) + isopropyl alcohol (67-63-0,8013-70-5) → acetic acid methyl ester (79-20-9) + 2-(1-methylethoxy)acetic acid methyl ester (17639-73-5) + isopropyl methoxyacetate (17640-21-0) + methyl β-hydroxy-β-methylbutyrate (6149-45-7) + isopropyl 2-isopropoxyacetate (17639-74-6) + Dimethyl succinate (106-65-0)

Guidance literature:

at 25 ℃; Product distribution; Mechanism; Irradiation; variation of temperatures and additives;

Reference yield:

methyl diazoacetate (6832-16-2) + isopropyl alcohol (67-63-0,8013-70-5) → 2-(1-methylethoxy)acetic acid methyl ester (17639-73-5) + isopropyl methoxyacetate (17640-21-0) + methyl β-hydroxy-β-methylbutyrate (6149-45-7) + isopropyl 2-isopropoxyacetate (17639-74-6)

Guidance literature:

at 25 ℃; Further byproducts given; Irradiation;

upstream raw materials:

methyl diazoacetate

isopropyl alcohol

Downstream raw materials:

2-isopropoxyacetic acid

3-isopropoxy-5,5-dimethyl-4-(4-methylsulfanylphenyl)-2,5-dihydro-2-furanone

1,1-dimethyl-2-[(4-methylsulfanyl)phenyl]-2-oxoethyl 2-isopropoxyacetate

1-isopropoxy-2-methyl 2-propanol

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