Ethyl 4-(cyclopropylamino)benzoate

Base Information

Chemical Name:Ethyl 4-(cyclopropylamino)benzoate
CAS No.:112033-48-4
Molecular Formula:C₁₂H₁₅NO₂
Molecular Weight:205.257
Hs Code.:
DSSTox Substance ID:DTXSID401238147
Nikkaji Number:J2.021.858D
Mol file:112033-48-4.mol

Synonyms:Ethyl 4-(cyclopropylamino)benzoate;112033-48-4;Benzoic acid, 4-(cyclopropylamino)-, ethyl ester (9CI);SCHEMBL1542810;BONKADOTDLVBQA-UHFFFAOYSA-N;DTXSID401238147;ethyl 4-(cyclopropylamino)-benzoate;E89071;Benzoic acid, 4-(cyclopropylamino)-, ethyl ester;Benzoic acid,4-(cyclopropylamino)-,ethyl ester(9ci)

Suppliers and Price of Ethyl 4-(cyclopropylamino)benzoate

Supply Marketing:

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

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of Ethyl 4-(cyclopropylamino)benzoate

Chemical Property:

PSA：0.00000
LogP:0.00000
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:205.110278721
Heavy Atom Count:15
Complexity:218

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=CC=C(C=C1)NC2CC2

Technology Process of Ethyl 4-(cyclopropylamino)benzoate

There total 6 articles about Ethyl 4-(cyclopropylamino)benzoate 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: 48.0%

: 5798-75-4
Ethyl 4-bromobenzoate

: 765-30-0
Cyclopropylamine

: 112033-48-4
ethyl 4-(cyclopropylamino)benzoate

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; sodium tert-pentoxide; In toluene; at 80 ℃; for 18h; Inert atmosphere;
DOI:10.1021/jacs.7b13087

Reference yield:

: 51934-41-9
4-iodobenzoic acid ethyl ester

: 765-30-0
Cyclopropylamine

: 112033-48-4
ethyl 4-(cyclopropylamino)benzoate

Guidance literature:: With copper(l) iodide; potassium carbonate; L-proline; In dimethyl sulfoxide; at 80 ℃; for 5h; Sealed tube;

Reference yield:

: 94-09-7
p-aminoethylbenzoate

: 112033-48-4
ethyl 4-(cyclopropylamino)benzoate

Guidance literature:: Multi-step reaction with 3 steps

1.1: NaNO₂; HBF₄ / H₂O / 1.5 h / 0 - 20 °C

1.2: 80 percent / CH₂Cl₂ / 25 °C

2.1: tetrahydrofuran / 1 h / -20 °C

2.2: tetrahydrofuran; 1-methyl-pyrrolidin-2-one / 3 h / 20 °C

3.1: Zn; AcOH; CF₃CO₂H / 0.25 h / 75 °C

With tetrafluoroboric acid; acetic acid; trifluoroacetic acid; zinc; sodium nitrite; In tetrahydrofuran; water;
DOI:10.1002/anie.200353241