Isopropyl glycolate

Base Information

• Chemical Name: Isopropyl glycolate
• CAS No.: 623-61-0
• Molecular Formula: C5H10O3
• Molecular Weight: 118.133
• Hs Code.: 2918199090
• European Community (EC) Number: 210-804-5
• NSC Number: 14089
• UNII: V35MP6VQ38
• DSSTox Substance ID: DTXSID10211362
• Nikkaji Number: J134.398J
• Wikidata: Q72485881
• Mol file: 623-61-0.mol

Synonyms:ISOPROPYL GLYCOLATE;623-61-0;propan-2-yl 2-hydroxyacetate;isopropyl 2-hydroxyacetate;Isopropyl hydroxyacetate;Acetic acid, hydroxy-, 1-methylethyl ester;2-hydroxyacetic acid isopropyl ester;hydroxy-acetic acid isopropyl ester;EINECS 210-804-5;MFCD00046747;NSC-14089;Acetic acid, 2-hydroxy-, 1-methylethyl ester;NSC14089;SCHEMBL22558;Glycolic acid isopropyl ester;Glycolic acid, isopropyl ester;V35MP6VQ38;DTXSID10211362;NSC 14089;AKOS005146480;DS-14648;SY022067;AM20100526;CS-0154171;FT-0651440;4-Cyanophenyl-4-trans-n-butylcyclohexylbenzoate;EN300-216092

Chemical Property of Isopropyl glycolate

Chemical Property:

• Vapor Pressure: 0.889mmHg at 25°C
• Refractive Index: 1.42
• Boiling Point: 159.3 °C at 760 mmHg
• PKA: 13.21±0.10(Predicted)
• Flash Point: 54.6 °C
• PSA: 46.53000
• Density: 1.05 g/cm³
• LogP: -0.06970
• Storage Temp.: 2-8°C
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 118.062994177
• Heavy Atom Count: 8
• Complexity: 77.7

Purity/Quality:

98%min ^*data from raw suppliers

IsopropylGlycolate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)CO
• Uses: Isopropyl glycolate is used as pharmaceutical intermediate.

Technology Process of Isopropyl glycolate

There total 11 articles about Isopropyl glycolate 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%

Dimethyl oxalate (553-90-2) → isopropyl glycolate (623-61-0)

Guidance literature:

With C₂₄H₃₈Cl₂N₃PRu; hydrogen; sodium methylate; In isopropyl alcohol; at 25 ℃; for 16h; under 37503.8 Torr;

Reference yield: 96.0%

Dimethyl oxalate (553-90-2) + isopropyl alcohol (67-63-0,8013-70-5) → isopropyl glycolate (623-61-0)

Guidance literature:

With C₂₄H₃₈Cl₂N₃PRu; hydrogen; sodium methylate; at 25 ℃; for 16h; under 38002.6 Torr; Autoclave;

DOI:10.1039/c4gc00835a

Reference yield: 72.0%

glycolic Acid (79-14-1) + isopropyl alcohol (67-63-0,8013-70-5) → isopropyl glycolate (623-61-0)

Guidance literature:

With 4 A molecular sieve; toluene-4-sulfonic acid; Heating;

DOI:10.1080/00032719808006490

upstream raw materials:

glycolic Acid

propene

isopropyl alcohol

isopropyl chloroacetate

Downstream raw materials:

Methoxymethoxy-(2-nitro-phenoxy)-acetic acid isopropyl ester

Methoxymethoxy-(5-methoxy-2-nitro-phenoxy)-acetic acid isopropyl ester

(4,5-Dimethoxy-2-nitro-phenoxy)-methoxymethoxy-acetic acid isopropyl ester

(Z)-5-isopropoxy-2,2,3,3,9,9-hexamethyl-8,8-diphenyl-4,7-dioxa-3,8-disiladec-5-ene

Refernces

• 1、 -. "Bipyridine ligand ruthenium complex is carried and its preparation method and application (by machine translation)". Paragraph 0098; 0099; 0100; 0102; 0104. . Retrieved 2017/04/28.
• 2、 Li, Wei,Xie, Jian-Hua,Yuan, Ming-Lei,Zhou, Qi-Lin. "Ruthenium complexes of tetradentate bipyridine ligands: Highly efficient catalysts for the hydrogenation of carboxylic esters and lactones". supporting information. p. 4081 - 4085. Retrieved 2014/10/15.