3-(p-Chloroanilino)crotonic acid ethyl ester

Base Information

Chemical Name:3-(p-Chloroanilino)crotonic acid ethyl ester
CAS No.:41014-75-9
Molecular Formula:C12H14ClNO2
Molecular Weight:239.702
Hs Code.:2922499990
European Community (EC) Number:631-017-7
NSC Number:96990
Nikkaji Number:J1.629.542F,J67.733G
Wikidata:Q76312874
Mol file:41014-75-9.mol

Synonyms:41014-75-9;3-(p-Chloroanilino)crotonic acid ethyl ester;Ethyl 3-(p-chloroanilino)-crotonate;ethyl (Z)-3-(4-chloroanilino)but-2-enoate;NSC 96990;BRN 3293913;CROTONIC ACID, 3-(p-CHLOROANILINO)-, ETHYL ESTER;ethyl 3-(4-chloroanilino)crotonate;3-12-00-01380 (Beilstein Handbook Reference);2-Butenoic acid, 3-((4-chlorophenyl)amino)-, ethyl ester;2-Butenoic acid, 3-[(4-chlorophenyl)amino]-, ethyl ester;Ethyl 3-((4-chlorophenyl)amino)but-2-enoate;SCHEMBL6825162;WLN: GR DMY1&U1VO2;NSC96990;NSC-96990;ETHYL3-(4-CHLOROANILINO)CROTONATE;LS-55559;ethyl (z)-3-(4-chloroanilino)-2-butenoate;Ethyl3-((4-chlorophenyl)amino)but-2-enoate;3-(4-Chloroanilino)-2-butenoic acid ethyl ester;ethyl (2Z)-3-[(4-chlorophenyl)amino]but-2-enoate;(Z)-3-(4-Chloroanilino)-2-butenoic acid ethyl ester

Suppliers and Price of 3-(p-Chloroanilino)crotonic acid ethyl ester

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

AHH
Ethyl3-(4-chloroanilino)crotonate 98%
10g
$ 498.00

Total 5 raw suppliers

Chemical Property of 3-(p-Chloroanilino)crotonic acid ethyl ester

Chemical Property:

Vapor Pressure:0.000112mmHg at 25°C
Boiling Point:336.5°C at 760 mmHg
Flash Point:157.3°C
PSA：38.33000
Density:1.196g/cm³
LogP:3.29180
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:239.0713064
Heavy Atom Count:16
Complexity:258

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3-(4-chloroanilino)crotonate 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: S24/25:Avoid contact with skin and eyes.;

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C=C(C)NC1=CC=C(C=C1)Cl
Isomeric SMILES:CCOC(=O)/C=C(/C)\NC1=CC=C(C=C1)Cl

Technology Process of 3-(p-Chloroanilino)crotonic acid ethyl ester

There total 1 articles about 3-(p-Chloroanilino)crotonic acid ethyl ester 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: 94.0%

: 141-97-9
ethyl acetoacetate

: 106-47-8
4-chloro-aniline

: 41014-75-9
ethyl 3-((4-chlorophenyl)amino)but-2-enoate

Guidance literature:: With C₉H₃NO₈^(2-)*Cu⁽²⁺⁾*2H₂O*C₇H₁₀N₆; In neat (no solvent); at 20 ℃; for 1h; chemoselective reaction;
DOI:10.1039/c3cc45310c

Reference yield: 100.0%

: 41014-75-9
ethyl 3-((4-chlorophenyl)amino)but-2-enoate

: 1249668-40-3
ethyl 3-((4-chlorophenyl)amino)butanoate

Guidance literature:: ethyl 3-((4-chlorophenyl)amino)but-2-enoate; With sodium triacetoxyborohydride; acetic acid; at 20 ℃;

With sodium carbonate; In dichloromethane; water;
DOI:10.1021/ol102760q