Diethyl isopropylbenzyloxymalonate

Base Information

Chemical Name:Diethyl isopropylbenzyloxymalonate
CAS No.:24124-03-6
Molecular Formula:C17H24 O5
Molecular Weight:308.375
Hs Code.:2918990090
European Community (EC) Number:246-023-1
NSC Number:154711
DSSTox Substance ID:DTXSID10178845
Nikkaji Number:J242.735D
Wikidata:Q83049327
Mol file:24124-03-6.mol

Synonyms:24124-03-6;Diethyl isopropylbenzyloxymalonate;2-Isopropyl-2-(benzyloxy)-propanedioic Acid 1,3-Diethyl Ester;diethyl 2-phenylmethoxy-2-propan-2-ylpropanedioate;EINECS 246-023-1;NSC154711;NSC 154711;Propanedioic acid,2-(1-methylethyl)-2-(phenylmethoxy)-, 1,3-diethyl ester;DTXSID10178845;AKOS030239861;NSC-154711;Diethyl 2-(benzyloxy)-2-isopropylmalonate;CS-0450260;FT-0670493;A1-20912;1-Methylethyl(phenylmethoxy)malonic acid diethyl ester

Suppliers and Price of Diethyl isopropylbenzyloxymalonate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2-Isopropyl-2-(benzyloxy)-propanedioicAcid1,3-DiethylEster
50mg
$ 95.00

Medical Isotopes, Inc.
2-Isopropyl-2-(benzyloxy)-propanedioicAcid1,3-DiethylEster
1 g
$ 2200.00

American Custom Chemicals Corporation
2-ISOPROPYL-2-(BENZYLOXY)-PROPANEDIOIC ACID-1,3-DIETHYL ESTER 95.00%
5MG
$ 498.92

A1 Biochem Labs
2-Isopropyl-2-(benzyloxy)-propanedioicacid1,3-diethylester 95%
5 g
$ 2100.00

Total 9 raw suppliers

Chemical Property of Diethyl isopropylbenzyloxymalonate

Chemical Property:

Vapor Pressure:1.76E-06mmHg at 25°C
Boiling Point:396°Cat760mmHg
Flash Point:171.1°C
PSA：61.83000
Density:1.083g/cm³
LogP:2.72420
Solubility.:Dichloromethane, Ethyl Acetate
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:308.16237386
Heavy Atom Count:22
Complexity:340

Purity/Quality:

99% ^*data from raw suppliers

2-Isopropyl-2-(benzyloxy)-propanedioicAcid1,3-DiethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C(C)C)(C(=O)OCC)OCC1=CC=CC=C1
Uses Used in the preparation of (+)-Lysergic acid and α-Ergocryptine (E597500). 2-Isopropyl-2-(benzyloxy)-propanedioic acid 1,3-diethyl ester is used in the preparation of (+)-Lysergic acid and α-Ergocryptine (E597500).

Technology Process of Diethyl isopropylbenzyloxymalonate

There total 7 articles about Diethyl isopropylbenzyloxymalonate 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: 90.0%

: 29542-26-5
(-)-isopropylbenzyloxymalonic acid monoethyl ester

: 64-67-5
diethyl sulfate

: 24124-03-6
isopropylbenzyloxymalonic acid diethyl ester

Guidance literature:: With potassium carbonate; In acetone; for 3h; Heating;
DOI:10.1021/jo049209b

Reference yield: 80.3%

: 24124-04-7
diethyl 2-hydroxy-2-isopropylmalonate

: 100-39-0
benzyl bromide

: 24124-03-6
isopropylbenzyloxymalonic acid diethyl ester

Guidance literature:: With sodium hydride; In N,N-dimethyl-d₆-formamide; mineral oil; at 70 - 75 ℃; for 2h; Cooling with ice;
DOI:10.1080/09168451.2018.1554426

Reference yield:

: 24182-44-3,29542-26-5
isopropylbenzyloxymalonic acid monoethyl ester

: 24124-03-6
isopropylbenzyloxymalonic acid diethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: (+)-(1R,2S)-2-amino-1-(4-nitrophenyl)propan-1,3-diol / ethanol / 20 °C

1.2: 35.4 g / phosphoric acid / CH₂Cl₂

2.1: 90 percent / K₂CO₃ / acetone / 3 h / Heating

With (1R,2S)-(+)-2-amino-1-(4-nitrophenyl)-1,3-propanediol; potassium carbonate; In ethanol; acetone;
DOI:10.1021/jo049209b