Benzyl tert-butyl malonate

Base Information Edit

Chemical Name:Benzyl tert-butyl malonate
CAS No.:72594-86-6
Molecular Formula:C14H18O4
Molecular Weight:250.295
Hs Code.:2917190090
European Community (EC) Number:639-332-1
DSSTox Substance ID:DTXSID60371546
Nikkaji Number:J2.321.780E
Wikidata:Q72443025
Mol file:72594-86-6.mol

Synonyms:BENZYL TERT-BUTYL MALONATE;72594-86-6;1-O-benzyl 3-O-tert-butyl propanedioate;MFCD01075175;Propanedioic acid, 1,1-dimethylethyl phenylmethyl ester;Benzyltert-butylmalonate;tert-Butyl benzyl malonate;t-butyl benzyl malonate;1-BENZYL 3-TERT-BUTYL PROPANEDIOATE;SCHEMBL394244;DTXSID60371546;XKXXXODAXXAFNP-UHFFFAOYSA-N;Malonic acid benzyl tert-butyl ester;AKOS015915482;Benzyl-2-(tert-butoxycarbonyl)-acetate;PS-5065;Malonic acid 1-tert-butyl 3-benzyl ester;SY019190;CS-0128412;FT-0622830;A837571;J-524776

Suppliers and Price of Benzyl tert-butyl malonate

Supply Marketing:Edit

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
Benzyltert-butylmalonate
500mg
$ 65.00

TRC
Benzyltert-butylmalonate
100mg
$ 45.00

SynQuest Laboratories
Benzyl tert-butyl malonate 95%
5 g
$ 40.00

SynQuest Laboratories
Benzyl tert-butyl malonate 95%
25 g
$ 111.00

SynQuest Laboratories
Benzyl tert-butyl malonate 95%
100 g
$ 330.00

Chemenu
Benzyltert-butylmalonate 95%
1000g
$ 704.00

American Custom Chemicals Corporation
BENZYL TERT-BUTYL MALONATE 95.00%
100G
$ 2921.23

American Custom Chemicals Corporation
BENZYL TERT-BUTYL MALONATE 95.00%
25G
$ 1214.14

American Custom Chemicals Corporation
BENZYL TERT-BUTYL MALONATE 95.00%
5G
$ 794.41

Alichem
Benzyltert-butylmalonate
100g
$ 297.15

Total 43 raw suppliers

Chemical Property of Benzyl tert-butyl malonate Edit

Chemical Property:

Vapor Pressure:0.00054mmHg at 25°C
Refractive Index:1.4860
Boiling Point:312.1 °C at 760 mmHg
PKA:11.76±0.46(Predicted)
Flash Point:146.2 °C
PSA：52.60000
Density:1.096 g/cm³
LogP:2.46160
Storage Temp.:Sealed in dry,Room Temperature
Water Solubility.:Not miscible or difficult to mix in water.
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:250.12050905
Heavy Atom Count:18
Complexity:285

Purity/Quality:

99% ^*data from raw suppliers

Benzyltert-butylmalonate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Safety Statements: 24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)CC(=O)OCC1=CC=CC=C1
Uses Benzyl tert-butyl malonate is used as a pharmaceutical intermediate.

Technology Process of Benzyl tert-butyl malonate

There total 3 articles about Benzyl tert-butyl malonate 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: 95.0%