(E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid

Base Information

Chemical Name:(E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid
CAS No.:135355-96-3
Molecular Formula:C₈H₁₂O₄
Molecular Weight:172.181
Hs Code.:
European Community (EC) Number:964-256-3
Nikkaji Number:J520.503D,J520.519K
Mol file:135355-96-3.mol

Synonyms:135355-96-3;(E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid;Fumaric Acid Mono-Tert-Butyl Ester;C8H12O4;(E)-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid;(2E)-4-(TERT-BUTOXY)-4-OXOBUT-2-ENOIC ACID;120515-28-8;Fumaric Acid tert-Butyl Ester;MFCD08669525;SCHEMBL642105;SCHEMBL1964699;Fumaric acid mono-t-butyl ester;BAXKSCVINAKVNE-SNAWJCMRSA-N;AKOS006289274;Fumaric Acid tert-Butyl Ester (>90%);AS-64842;CS-0131262;4-(TERT-BUTOXY)-4-OXOBUT-2-ENOICACID;4-(TERT-BUTOXY)-4-OXOBUT-2-ENOIC ACID;EN300-4285682;A904792;A1-50278

Suppliers and Price of (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid

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

Usbiological
Fumaric Acid tert-Butyl Ester
500mg
$ 403.00

TRC
FumaricAcidtert-ButylEster
500mg
$ 110.00

Medical Isotopes, Inc.
FumaricAcidtert-ButylEster
500 mg
$ 290.00

Matrix Scientific
Fumaric acid mono-tert-butyl ester
1g
$ 365.00

Matrix Scientific
Fumaric acid mono-tert-butyl ester
5g
$ 886.00

Crysdot
(E)-4-(tert-Butoxy)-4-oxobut-2-enoicacid 95+%
5g
$ 633.00

Ambeed
(E)-4-(tert-Butoxy)-4-oxobut-2-enoicacid 95%
250mg
$ 64.00

Ambeed
(E)-4-(tert-Butoxy)-4-oxobut-2-enoicacid 95%
5g
$ 630.00

Ambeed
(E)-4-(tert-Butoxy)-4-oxobut-2-enoicacid 95%
1g
$ 128.00

Ambeed
(E)-4-(tert-Butoxy)-4-oxobut-2-enoicacid 95%
10g
$ 1102.00

Total 8 raw suppliers

Chemical Property of (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid

Chemical Property:

Melting Point:65-68 °C
Boiling Point:273.8±23.0 °C(Predicted)
PKA:3.35±0.10(Predicted)
Density:1.130±0.06 g/cm3(Predicted)
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
Solubility.:Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:172.07355886
Heavy Atom Count:12
Complexity:210

Purity/Quality:

97% ^*data from raw suppliers

Fumaric Acid tert-Butyl Ester ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)C=CC(=O)O
Isomeric SMILES:CC(C)(C)OC(=O)/C=C/C(=O)O
Uses Fumaric Acid tert-Butyl Ester is a tert-Butyl ester derivative of Fumaric Acid (F500380). Fumaric Acid tert-Butyl Ester is a reactant used in the preparation of cysteine protease inhibitors based on fumaric acid-derived oligopeptides. It is also used in the preparation of Nε-fumaroylated diketopiperazine of L-Lys used for pulmonary drug delivery. Fumaric acid tert-Butyl ester is a tert-Butyl ester derivative of Fumaric Acid (F500380), it is a reactant used in the preparation of cysteine protease inhibitors based on fumaric acid-derived oligopeptides. It is also used in the preparation of Nε-fumaroylated diketopiperazine of L-Lys used for pulmonary drug delivery.

Technology Process of (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid

There total 7 articles about (E)-4-(tert-Butoxy)-4-oxobut-2-enoic 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: 97.0%