(2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid

Base Information

Chemical Name:(2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid
CAS No.:65591-48-2
Molecular Formula:C₈H₁₃NO₃
Molecular Weight:171.196
Hs Code.:
NSC Number:55573
DSSTox Substance ID:DTXSID50418111
Wikidata:Q82228416
ChEMBL ID:CHEMBL4296886

Synonyms:65591-48-2;MLS000737307;NSC55573;ST089278;SCHEMBL9350622;CHEMBL4296886;DTXSID50418111;NSC-55573;STL020468;AKOS002311288;(2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid

Suppliers and Price of (2Z)-4-[(2-methylpropyl)amino]-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

Total 6 raw suppliers

Chemical Property of (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid

Chemical Property:

Vapor Pressure:1.42E-06mmHg at 25°C
Boiling Point:372.5°C at 760 mmHg
Flash Point:179.1°C
Density:1.103g/cm³
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:171.08954328
Heavy Atom Count:12
Complexity:197

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CNC(=O)C=CC(=O)O
Isomeric SMILES:CC(C)CNC(=O)/C=C\C(=O)O

Technology Process of (2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid

There total 1 articles about (2Z)-4-[(2-methylpropyl)amino]-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:

: 108-31-6
maleic anhydride

: 78-81-9
isobutylamine

: 65591-48-2
N-(i-butyl)maleamic acid

Guidance literature:: With benzene;
DOI:10.1039/jr9570002767

Reference yield:

: 65591-48-2
N-(i-butyl)maleamic acid

: C₃₇H₂₉NO₃

Guidance literature:: Multi-step reaction with 2 steps

1: sodium acetate / 100 °C

2: CH₂Cl₂ / 20 °C

With sodium acetate; In dichloromethane; 2: Diels-Alder reaction;
DOI:10.1366/0003702053585426